1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one

C16H17NO2 — CID 82541838

IUPAC1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc(C(N)O)cc2)cc1
InChIInChI=1S/C16H17NO2/c1-2-15(18)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(17)19/h3-10,16,19H,2,17H2,1H3
InChIKeyCSZHGFCZHYTAFP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.90
Rot. Bonds4

About 1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one

1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one (PubChem CID 82541838) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one
PubChem CID82541838
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc(C(N)O)cc2)cc1
InChIInChI=1S/C16H17NO2/c1-2-15(18)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(17)19/h3-10,16,19H,2,17H2,1H3
InChIKeyCSZHGFCZHYTAFP-UHFFFAOYSA-N
XLogP2.90
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(2-bromoacetyl)phenyl]phenyl]propan-1-one
CID 123680970
1-[4-(1-bromoethyl)phenyl]propan-1-one
CID 174776199
1-[4-(1,1,1-trifluoropropan-2-yl)phenyl]propan-1-one
CID 143379379
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
1-(4-aminophenyl)propan-1-one
CID 6270
1-[4-[3-[hydroxy(methylamino)methyl]phenyl]phenyl]propan-1-one
CID 82540284
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
CID 119526547
1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one
CID 124500314
ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate
CID 14425758
1-[4-[2-(4-phenylphenyl)ethynyl]phenyl]propan-1-one
CID 139662703
1-[4-(4-phenylphenoxy)phenyl]propan-1-one
CID 18364107
(1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one
CID 160648144

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one?
The IUPAC name of 1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one (CID 82541838) is 1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one is CCC(=O)c1ccc(-c2ccc(C(N)O)cc2)cc1.
What is the InChIKey of 1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one?
The InChIKey is CSZHGFCZHYTAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-15(18)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(17)19/h3-10,16,19H,2,17H2,1H3.
What are the key properties of 1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one?
1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one has a molecular weight of 255.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[amino(hydroxy)methyl]phenyl]phenyl]propan-1-one is sourced from PubChem (CID 82541838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).