(2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine

C19H31NO — CID 125486671

IUPAC(2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine
SMILESCCCN(CCC)[C@@H]1CCc2c(OC)cccc2C1(C)C
InChIInChI=1S/C19H31NO/c1-6-13-20(14-7-2)18-12-11-15-16(19(18,3)4)9-8-10-17(15)21-5/h8-10,18H,6-7,11-14H2,1-5H3/t18-/m1/s1
InChIKeyXYLJWGJAINVASK-GOSISDBHSA-N
MW289.46 g/mol
LogP4.41
Rot. Bonds6

About (2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine

(2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine (PubChem CID 125486671) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is (2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine.

Molecular Properties

Compound Name(2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine
PubChem CID125486671
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name(2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine
SMILESCCCN(CCC)[C@@H]1CCc2c(OC)cccc2C1(C)C
InChIInChI=1S/C19H31NO/c1-6-13-20(14-7-2)18-12-11-15-16(19(18,3)4)9-8-10-17(15)21-5/h8-10,18H,6-7,11-14H2,1-5H3/t18-/m1/s1
InChIKeyXYLJWGJAINVASK-GOSISDBHSA-N
XLogP4.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 67822611
(1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 18652062
N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19761690
(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10063953
5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12581206
(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11187960
(4aS)-8-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene
CID 14167541
(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
(2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 172562626
5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 172562601
N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 158457147
5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
CID 90668689

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine?
The IUPAC name of (2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine (CID 125486671) is (2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine.
What is the SMILES notation for (2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine?
The canonical SMILES for (2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine is CCCN(CCC)[C@@H]1CCc2c(OC)cccc2C1(C)C.
What is the InChIKey of (2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine?
The InChIKey is XYLJWGJAINVASK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-13-20(14-7-2)18-12-11-15-16(19(18,3)4)9-8-10-17(15)21-5/h8-10,18H,6-7,11-14H2,1-5H3/t18-/m1/s1.
What are the key properties of (2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine?
(2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine is sourced from PubChem (CID 125486671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).