N-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine

C18H23N3 — CID 13409632

IUPACN-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine
SMILESNc1ccccc1C(NN1CCCCC1)c1ccccc1
InChIInChI=1S/C18H23N3/c19-17-12-6-5-11-16(17)18(15-9-3-1-4-10-15)20-21-13-7-2-8-14-21/h1,3-6,9-12,18,20H,2,7-8,13-14,19H2
InChIKeyUWPLTBSMBRGSBP-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.35
Rot. Bonds4

About N-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine

N-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine (PubChem CID 13409632) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine
PubChem CID13409632
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine
SMILESNc1ccccc1C(NN1CCCCC1)c1ccccc1
InChIInChI=1S/C18H23N3/c19-17-12-6-5-11-16(17)18(15-9-3-1-4-10-15)20-21-13-7-2-8-14-21/h1,3-6,9-12,18,20H,2,7-8,13-14,19H2
InChIKeyUWPLTBSMBRGSBP-UHFFFAOYSA-N
XLogP3.35
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)-phenylmethyl]carbazol-9-amine
CID 129238269
methyl 4-[[(2-aminophenyl)-phenylmethyl]amino]piperidine-1-carboxylate
CID 139982406
2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline
CID 139982463
2-[morpholin-4-yl(phenyl)methyl]aniline
CID 160604739
2-(1-pyrrolidin-1-ylbut-2-ynyl)aniline
CID 102289082
2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline
CID 174266299
N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 83012265
1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine
CID 67763745
N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride
CID 11971660
N-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 139982347
1-benzhydryloxypiperidine;hydrochloride
CID 18381951
2-[(4-butylpiperazin-1-yl)-phenylmethyl]aniline
CID 20795283

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine?
The IUPAC name of N-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine (CID 13409632) is N-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine.
What is the SMILES notation for N-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine?
The canonical SMILES for N-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine is Nc1ccccc1C(NN1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine?
The InChIKey is UWPLTBSMBRGSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c19-17-12-6-5-11-16(17)18(15-9-3-1-4-10-15)20-21-13-7-2-8-14-21/h1,3-6,9-12,18,20H,2,7-8,13-14,19H2.
What are the key properties of N-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine?
N-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine is sourced from PubChem (CID 13409632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).