1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine

C18H29NO — CID 83050599

IUPAC1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)C1CCCc2ccc(OC)cc21
InChIInChI=1S/C18H29NO/c1-4-7-18(19-12-5-2)16-9-6-8-14-10-11-15(20-3)13-17(14)16/h10-11,13,16,18-19H,4-9,12H2,1-3H3
InChIKeyHFJRNCHQCOYTGE-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.28
Rot. Bonds7

About 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine

1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine (PubChem CID 83050599) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine
PubChem CID83050599
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)C1CCCc2ccc(OC)cc21
InChIInChI=1S/C18H29NO/c1-4-7-18(19-12-5-2)16-9-6-8-14-10-11-15(20-3)13-17(14)16/h10-11,13,16,18-19H,4-9,12H2,1-3H3
InChIKeyHFJRNCHQCOYTGE-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine
CID 79248643
N-ethyl-1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propan-1-amine
CID 79368390
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 55188345
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine
CID 79248252
N-ethyl-1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 79368208
4-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-4-en-1-amine
CID 114474715
N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239668
2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 81357749
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 79368775
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496
7-methoxy-N-(1-methoxybutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248596
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine (CID 83050599) is 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine is CCCNC(CCC)C1CCCc2ccc(OC)cc21.
What is the InChIKey of 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine?
The InChIKey is HFJRNCHQCOYTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-7-18(19-12-5-2)16-9-6-8-14-10-11-15(20-3)13-17(14)16/h10-11,13,16,18-19H,4-9,12H2,1-3H3.
What are the key properties of 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine?
1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 83050599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).