1-chloro-1-phenylbutan-1-amine

C10H14ClN — CID 174514762

IUPAC1-chloro-1-phenylbutan-1-amine
SMILESCCCC(N)(Cl)c1ccccc1
InChIInChI=1S/C10H14ClN/c1-2-8-10(11,12)9-6-4-3-5-7-9/h3-7H,2,8,12H2,1H3
InChIKeyVZZMJRVNJKZXSD-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.84
Rot. Bonds3

About 1-chloro-1-phenylbutan-1-amine

1-chloro-1-phenylbutan-1-amine (PubChem CID 174514762) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 1-chloro-1-phenylbutan-1-amine.

Molecular Properties

Compound Name1-chloro-1-phenylbutan-1-amine
PubChem CID174514762
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name1-chloro-1-phenylbutan-1-amine
SMILESCCCC(N)(Cl)c1ccccc1
InChIInChI=1S/C10H14ClN/c1-2-8-10(11,12)9-6-4-3-5-7-9/h3-7H,2,8,12H2,1H3
InChIKeyVZZMJRVNJKZXSD-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenylhexan-3-amine
CID 60794511
1,1-diphenylpentan-1-amine
CID 10263654
2-amino-2-phenylpentan-1-ol
CID 61056433
1,1-diphenylhexan-1-amine
CID 20568221
CID 173375718
CID 173375718
1,1-diphenyldodecan-1-amine
CID 19925745
(2S)-2-phenylhexan-2-amine
CID 10889241
1-phenyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 62963914
1-(4-iodophenyl)-2-phenylpentan-2-amine
CID 65476853
2-chloro-2-phenylhexan-1-amine;silane
CID 174268872
(2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene
CID 21418823
1-amino-1-phenylbutane-1-sulfinate
CID 90969335

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-phenylbutan-1-amine?
The IUPAC name of 1-chloro-1-phenylbutan-1-amine (CID 174514762) is 1-chloro-1-phenylbutan-1-amine.
What is the SMILES notation for 1-chloro-1-phenylbutan-1-amine?
The canonical SMILES for 1-chloro-1-phenylbutan-1-amine is CCCC(N)(Cl)c1ccccc1.
What is the InChIKey of 1-chloro-1-phenylbutan-1-amine?
The InChIKey is VZZMJRVNJKZXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-2-8-10(11,12)9-6-4-3-5-7-9/h3-7H,2,8,12H2,1H3.
What are the key properties of 1-chloro-1-phenylbutan-1-amine?
1-chloro-1-phenylbutan-1-amine has a molecular weight of 183.68 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-phenylbutan-1-amine is sourced from PubChem (CID 174514762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).