N-(chloromethyl)-3-phenylpropan-1-amine

C10H14ClN — CID 141240015

IUPACN-(chloromethyl)-3-phenylpropan-1-amine
SMILESClCNCCCc1ccccc1
InChIInChI=1S/C10H14ClN/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2
InChIKeyOJMKPRIMHCQYDI-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.41
Rot. Bonds5

About N-(chloromethyl)-3-phenylpropan-1-amine

N-(chloromethyl)-3-phenylpropan-1-amine (PubChem CID 141240015) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is N-(chloromethyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(chloromethyl)-3-phenylpropan-1-amine
PubChem CID141240015
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC NameN-(chloromethyl)-3-phenylpropan-1-amine
SMILESClCNCCCc1ccccc1
InChIInChI=1S/C10H14ClN/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2
InChIKeyOJMKPRIMHCQYDI-UHFFFAOYSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorobutyl)-4-phenylbutan-1-amine
CID 106844243
N-(2-chloroethyl)-3-phenylpropan-1-amine;hydrochloride
CID 141396605
(E)-4-chloro-N-(3-phenylpropyl)but-2-en-1-amine
CID 81429531
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
2-(3-phenylpropylamino)ethanol
CID 19012091
N-(2-bromoethyl)-3-phenylpropan-1-amine
CID 68743153
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000
4-bromo-N-(3-phenylpropyl)butan-1-amine
CID 106844820
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
1-(2-phenylethyl)-2-(3-phenylpropyl)hydrazine
CID 56631422
4-chlorobutylbenzene;ethane
CID 142108519

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-3-phenylpropan-1-amine?
The IUPAC name of N-(chloromethyl)-3-phenylpropan-1-amine (CID 141240015) is N-(chloromethyl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-(chloromethyl)-3-phenylpropan-1-amine?
The canonical SMILES for N-(chloromethyl)-3-phenylpropan-1-amine is ClCNCCCc1ccccc1.
What is the InChIKey of N-(chloromethyl)-3-phenylpropan-1-amine?
The InChIKey is OJMKPRIMHCQYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2.
What are the key properties of N-(chloromethyl)-3-phenylpropan-1-amine?
N-(chloromethyl)-3-phenylpropan-1-amine has a molecular weight of 183.68 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 141240015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).