(1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine

C18H29NO — CID 167018873

IUPAC(1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine
SMILESCCC[C@]1(C)c2cc(OC)ccc2C[C@H](CC)[C@@H]1NC
InChIInChI=1S/C18H29NO/c1-6-10-18(3)16-12-15(20-5)9-8-14(16)11-13(7-2)17(18)19-4/h8-9,12-13,17,19H,6-7,10-11H2,1-5H3/t13-,17-,18+/m0/s1
InChIKeyFSAZCGRLLJJZEQ-DOPJRALCSA-N
MW275.44 g/mol
LogP3.92
Rot. Bonds5

About (1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine

(1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine (PubChem CID 167018873) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine.

Molecular Properties

Compound Name(1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine
PubChem CID167018873
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine
SMILESCCC[C@]1(C)c2cc(OC)ccc2C[C@H](CC)[C@@H]1NC
InChIInChI=1S/C18H29NO/c1-6-10-18(3)16-12-15(20-5)9-8-14(16)11-13(7-2)17(18)19-4/h8-9,12-13,17,19H,6-7,10-11H2,1-5H3/t13-,17-,18+/m0/s1
InChIKeyFSAZCGRLLJJZEQ-DOPJRALCSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine with MolForge

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Related Compounds

(1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine
CID 167018874
(1R,9R,13S)-10-(cyclopropylmethyl)-4-methoxy-N,1-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine
CID 90122726
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379
5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride
CID 70557198
N-[[(4bS,8aS,9S)-3-methoxy-4b-methyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-yl]methyl]butan-1-amine
CID 167018559
(1S,9R,13S)-4-methoxy-1,10-dimethyl-N-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine
CID 126665191
N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide
CID 70556870
2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid
CID 11172367
5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 86588869
4-bromo-8-methoxy-9b-methyl-1,2,4,5-tetrahydrobenzo[e]indole
CID 23330793
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001
4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine
CID 623527

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine?
The IUPAC name of (1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine (CID 167018873) is (1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine.
What is the SMILES notation for (1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine?
The canonical SMILES for (1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine is CCC[C@]1(C)c2cc(OC)ccc2C[C@H](CC)[C@@H]1NC.
What is the InChIKey of (1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine?
The InChIKey is FSAZCGRLLJJZEQ-DOPJRALCSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-10-18(3)16-12-15(20-5)9-8-14(16)11-13(7-2)17(18)19-4/h8-9,12-13,17,19H,6-7,10-11H2,1-5H3/t13-,17-,18+/m0/s1.
What are the key properties of (1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine?
(1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine is sourced from PubChem (CID 167018873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).