N-chloro-2-(3-phenylphenyl)ethanamine

C14H14ClN — CID 88912569

IUPACN-chloro-2-(3-phenylphenyl)ethanamine
SMILESClNCCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C14H14ClN/c15-16-10-9-12-5-4-8-14(11-12)13-6-2-1-3-7-13/h1-8,11,16H,9-10H2
InChIKeyDTWCXHLGXOZBSJ-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.64
Rot. Bonds4

About N-chloro-2-(3-phenylphenyl)ethanamine

N-chloro-2-(3-phenylphenyl)ethanamine (PubChem CID 88912569) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is N-chloro-2-(3-phenylphenyl)ethanamine.

Molecular Properties

Compound NameN-chloro-2-(3-phenylphenyl)ethanamine
PubChem CID88912569
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC NameN-chloro-2-(3-phenylphenyl)ethanamine
SMILESClNCCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C14H14ClN/c15-16-10-9-12-5-4-8-14(11-12)13-6-2-1-3-7-13/h1-8,11,16H,9-10H2
InChIKeyDTWCXHLGXOZBSJ-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-chloro-2-phenylethanamine
CID 18184165
1-phenyl-3-(3-phenylpropyl)benzene
CID 153492299
N-methyl-6-(3-phenylphenyl)hexan-1-amine
CID 142524763
3-(3-phenylphenyl)propan-1-amine
CID 68886504
1-phenyl-3-propylbenzene
CID 4110465
4-(3-phenylphenyl)butan-1-amine
CID 117324209
5-(3-phenylphenyl)pentan-1-ol
CID 57054310
1-(4-methylpentyl)-3-phenylbenzene
CID 19790542
1-(3-methylbut-3-enyl)-3-phenylbenzene
CID 143843043
1-(3-methylbutyl)-3-phenylbenzene
CID 21063782
2,4-dioxo-4-[3-(3-phenylphenyl)propylamino]butanoic acid
CID 91929757
1,4-bis(3-benzylphenyl)benzene
CID 175442136

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-(3-phenylphenyl)ethanamine?
The IUPAC name of N-chloro-2-(3-phenylphenyl)ethanamine (CID 88912569) is N-chloro-2-(3-phenylphenyl)ethanamine.
What is the SMILES notation for N-chloro-2-(3-phenylphenyl)ethanamine?
The canonical SMILES for N-chloro-2-(3-phenylphenyl)ethanamine is ClNCCc1cccc(-c2ccccc2)c1.
What is the InChIKey of N-chloro-2-(3-phenylphenyl)ethanamine?
The InChIKey is DTWCXHLGXOZBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c15-16-10-9-12-5-4-8-14(11-12)13-6-2-1-3-7-13/h1-8,11,16H,9-10H2.
What are the key properties of N-chloro-2-(3-phenylphenyl)ethanamine?
N-chloro-2-(3-phenylphenyl)ethanamine has a molecular weight of 231.73 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-(3-phenylphenyl)ethanamine is sourced from PubChem (CID 88912569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).