N-[(4-phenoxyphenyl)methyl]pentan-1-amine

C18H23NO — CID 10754466

IUPACN-[(4-phenoxyphenyl)methyl]pentan-1-amine
SMILESCCCCCNCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-2-3-7-14-19-15-16-10-12-18(13-11-16)20-17-8-5-4-6-9-17/h4-6,8-13,19H,2-3,7,14-15H2,1H3
InChIKeyYRQFXIYUKBFPEU-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.76
Rot. Bonds8

About N-[(4-phenoxyphenyl)methyl]pentan-1-amine

N-[(4-phenoxyphenyl)methyl]pentan-1-amine (PubChem CID 10754466) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(4-phenoxyphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(4-phenoxyphenyl)methyl]pentan-1-amine
PubChem CID10754466
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(4-phenoxyphenyl)methyl]pentan-1-amine
SMILESCCCCCNCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-2-3-7-14-19-15-16-10-12-18(13-11-16)20-17-8-5-4-6-9-17/h4-6,8-13,19H,2-3,7,14-15H2,1H3
InChIKeyYRQFXIYUKBFPEU-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.76
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',N'-dibutyl-N-[(4-phenoxyphenyl)methyl]ethane-1,2-diamine;ethane
CID 142139819
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-[(4-phenylmethoxyphenyl)methyl]octan-1-amine;hydrochloride
CID 17331183
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
2-ethylsulfanyl-N-[(4-phenoxyphenyl)methyl]ethanamine
CID 19048210
N-[(4-pentoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804818
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291090
azane;N-benzylbutan-1-amine
CID 175388745
N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17291031
N-heptyl-4-phenoxyaniline
CID 43129191
N-hexyl-4-phenoxyaniline
CID 28876890
N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline
CID 54796711

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenoxyphenyl)methyl]pentan-1-amine?
The IUPAC name of N-[(4-phenoxyphenyl)methyl]pentan-1-amine (CID 10754466) is N-[(4-phenoxyphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(4-phenoxyphenyl)methyl]pentan-1-amine?
The canonical SMILES for N-[(4-phenoxyphenyl)methyl]pentan-1-amine is CCCCCNCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(4-phenoxyphenyl)methyl]pentan-1-amine?
The InChIKey is YRQFXIYUKBFPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-3-7-14-19-15-16-10-12-18(13-11-16)20-17-8-5-4-6-9-17/h4-6,8-13,19H,2-3,7,14-15H2,1H3.
What are the key properties of N-[(4-phenoxyphenyl)methyl]pentan-1-amine?
N-[(4-phenoxyphenyl)methyl]pentan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenoxyphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 10754466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).