N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C18H29NO — CID 79239668

IUPACN-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCCC(C)NC1CCCc2ccc(OC)cc21
InChIInChI=1S/C18H29NO/c1-4-5-6-8-14(2)19-18-10-7-9-15-11-12-16(20-3)13-17(15)18/h11-14,18-19H,4-10H2,1-3H3
InChIKeyLWPDQAIEDJVNFF-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.63
Rot. Bonds7

About N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79239668) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79239668
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCCC(C)NC1CCCc2ccc(OC)cc21
InChIInChI=1S/C18H29NO/c1-4-5-6-8-14(2)19-18-10-7-9-15-11-12-16(20-3)13-17(15)18/h11-14,18-19H,4-10H2,1-3H3
InChIKeyLWPDQAIEDJVNFF-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366850
N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307
7-methoxy-N-(1-methoxybutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248596
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
N-(1-ethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366954
4-methoxy-3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butan-1-ol
CID 103785509
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol
CID 79238909
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 79238997
6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113262380
6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890286
(1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 1378447
N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115725728

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79239668) is N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is CCCCCC(C)NC1CCCc2ccc(OC)cc21.
What is the InChIKey of N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LWPDQAIEDJVNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-5-6-8-14(2)19-18-10-7-9-15-11-12-16(20-3)13-17(15)18/h11-14,18-19H,4-10H2,1-3H3.
What are the key properties of N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79239668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).