N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine

C24H29NO — CID 54848983

IUPACN-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine
SMILESCCCCOc1ccc2ccccc2c1CNC(CC)c1ccccc1
InChIInChI=1S/C24H29NO/c1-3-5-17-26-24-16-15-19-11-9-10-14-21(19)22(24)18-25-23(4-2)20-12-7-6-8-13-20/h6-16,23,25H,3-5,17-18H2,1-2H3
InChIKeyRNVINOQLXGXBDC-UHFFFAOYSA-N
MW347.50 g/mol
LogP6.26
Rot. Bonds9

About N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine

N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine (PubChem CID 54848983) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine
PubChem CID54848983
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC NameN-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine
SMILESCCCCOc1ccc2ccccc2c1CNC(CC)c1ccccc1
InChIInChI=1S/C24H29NO/c1-3-5-17-26-24-16-15-19-11-9-10-14-21(19)22(24)18-25-23(4-2)20-12-7-6-8-13-20/h6-16,23,25H,3-5,17-18H2,1-2H3
InChIKeyRNVINOQLXGXBDC-UHFFFAOYSA-N
XLogP6.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 56.26
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

(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine
CID 29225446
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156022
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17155741
N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
1-ethyl-2-propoxynaphthalene
CID 129259410
N-[(2-butoxynaphthalen-1-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849521
1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine
CID 54847639

Frequently Asked Questions

What is the IUPAC name of N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine (CID 54848983) is N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine is CCCCOc1ccc2ccccc2c1CNC(CC)c1ccccc1.
What is the InChIKey of N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine?
The InChIKey is RNVINOQLXGXBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-3-5-17-26-24-16-15-19-11-9-10-14-21(19)22(24)18-25-23(4-2)20-12-7-6-8-13-20/h6-16,23,25H,3-5,17-18H2,1-2H3.
What are the key properties of N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine?
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine has a molecular weight of 347.50 g/mol, XLogP of 6.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 54848983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).