N-[(3-phenylphenyl)methyl]butan-1-amine

C17H21N — CID 143730609

IUPACN-[(3-phenylphenyl)methyl]butan-1-amine
SMILESCCCCNCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H21N/c1-2-3-12-18-14-15-8-7-11-17(13-15)16-9-5-4-6-10-16/h4-11,13,18H,2-3,12,14H2,1H3
InChIKeyIFTVVSKTHNXACD-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.24
Rot. Bonds6

About N-[(3-phenylphenyl)methyl]butan-1-amine

N-[(3-phenylphenyl)methyl]butan-1-amine (PubChem CID 143730609) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(3-phenylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(3-phenylphenyl)methyl]butan-1-amine
PubChem CID143730609
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[(3-phenylphenyl)methyl]butan-1-amine
SMILESCCCCNCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H21N/c1-2-3-12-18-14-15-8-7-11-17(13-15)16-9-5-4-6-10-16/h4-11,13,18H,2-3,12,14H2,1H3
InChIKeyIFTVVSKTHNXACD-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
azane;N-benzylbutan-1-amine
CID 175388745
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
N-[[3-[(octylamino)methyl]phenyl]methyl]octan-1-amine
CID 10784784
N-[(3-phenylmethoxyphenyl)methyl]butan-1-amine
CID 4722064
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide;N-[(3-phenylphenyl)methyl]butan-1-amine
CID 143730608
N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
CID 116545296
N-[[3,5-bis(butylaminomethyl)phenyl]methyl]butan-1-amine
CID 10592779
1-phenyl-3-propylbenzene
CID 4110465
N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675
2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine
CID 57196084

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenylphenyl)methyl]butan-1-amine?
The IUPAC name of N-[(3-phenylphenyl)methyl]butan-1-amine (CID 143730609) is N-[(3-phenylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(3-phenylphenyl)methyl]butan-1-amine?
The canonical SMILES for N-[(3-phenylphenyl)methyl]butan-1-amine is CCCCNCc1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[(3-phenylphenyl)methyl]butan-1-amine?
The InChIKey is IFTVVSKTHNXACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-2-3-12-18-14-15-8-7-11-17(13-15)16-9-5-4-6-10-16/h4-11,13,18H,2-3,12,14H2,1H3.
What are the key properties of N-[(3-phenylphenyl)methyl]butan-1-amine?
N-[(3-phenylphenyl)methyl]butan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 143730609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).