2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine

C19H31NO — CID 107897420

IUPAC2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine
SMILESCCCC(C)C1(CNCCOC)CCCc2ccccc21
InChIInChI=1S/C19H31NO/c1-4-8-16(2)19(15-20-13-14-21-3)12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,16,20H,4,7-8,10,12-15H2,1-3H3
InChIKeyQCTVHWPWOVZWIF-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.93
Rot. Bonds8

About 2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine

2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine (PubChem CID 107897420) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine
PubChem CID107897420
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine
SMILESCCCC(C)C1(CNCCOC)CCCc2ccccc21
InChIInChI=1S/C19H31NO/c1-4-8-16(2)19(15-20-13-14-21-3)12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,16,20H,4,7-8,10,12-15H2,1-3H3
InChIKeyQCTVHWPWOVZWIF-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.93
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

2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine
CID 62718320
1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol
CID 116503441
2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine
CID 62712841
1-(1-methoxypropan-2-yl)-2,3-dihydroinden-1-amine
CID 115624951
N-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine
CID 103512866
2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine
CID 62596033
1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 102080429
2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596424
1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 62772754
1-[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
CID 103984610
(1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde
CID 14963826
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine (CID 107897420) is 2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine is CCCC(C)C1(CNCCOC)CCCc2ccccc21.
What is the InChIKey of 2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine?
The InChIKey is QCTVHWPWOVZWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-8-16(2)19(15-20-13-14-21-3)12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,16,20H,4,7-8,10,12-15H2,1-3H3.
What are the key properties of 2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine?
2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine is sourced from PubChem (CID 107897420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).