[4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone

C16H18N2O — CID 155133296

IUPAC[4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone
SMILESNCCNCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c17-10-11-18-12-13-6-8-15(9-7-13)16(19)14-4-2-1-3-5-14/h1-9,18H,10-12,17H2
InChIKeyCDYDENLLTBZJQO-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.97
Rot. Bonds6

About [4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone

[4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone (PubChem CID 155133296) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is [4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone
PubChem CID155133296
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name[4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone
SMILESNCCNCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c17-10-11-18-12-13-6-8-15(9-7-13)16(19)14-4-2-1-3-5-14/h1-9,18H,10-12,17H2
InChIKeyCDYDENLLTBZJQO-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635
1-[(4-benzoylphenyl)methylamino]-5-methylhex-4-en-3-one
CID 175053988
[4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone
CID 67853321
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]propane-1,3-diamine;tetrahydrochloride
CID 11440858
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]octane-1,8-diamine
CID 67649302
2-[4-[(3-aminopropylamino)methyl]phenyl]acetic acid
CID 103248106
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
4-[(4-phenylbutylamino)methyl]benzoic acid
CID 90095310
3-(benzylamino)propyl benzoate
CID 67562495
cobalt(2+);diphenylmethanone
CID 19033779
[4-(benzylamino)phenyl]-phenylmethanone
CID 11208443

Frequently Asked Questions

What is the IUPAC name of [4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone (CID 155133296) is [4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone is NCCNCc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone?
The InChIKey is CDYDENLLTBZJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-10-11-18-12-13-6-8-15(9-7-13)16(19)14-4-2-1-3-5-14/h1-9,18H,10-12,17H2.
What are the key properties of [4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone?
[4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone has a molecular weight of 254.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone is sourced from PubChem (CID 155133296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).