N-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine

C14H22ClN — CID 82924271

IUPACN-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine
SMILESCCC(CC)CNC(CCl)c1ccccc1
InChIInChI=1S/C14H22ClN/c1-3-12(4-2)11-16-14(10-15)13-8-6-5-7-9-13/h5-9,12,14,16H,3-4,10-11H2,1-2H3
InChIKeyVDOBVPXJYATVPC-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.99
Rot. Bonds7

About N-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine

N-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine (PubChem CID 82924271) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine
PubChem CID82924271
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine
SMILESCCC(CC)CNC(CCl)c1ccccc1
InChIInChI=1S/C14H22ClN/c1-3-12(4-2)11-16-14(10-15)13-8-6-5-7-9-13/h5-9,12,14,16H,3-4,10-11H2,1-2H3
InChIKeyVDOBVPXJYATVPC-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-(1-phenylethyl)butan-1-amine
CID 43177121
N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine
CID 65025465
(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid
CID 122038582
N-(2,2-diphenylethyl)-2-ethylbutan-1-amine
CID 103603252
(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
CID 93314160
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol
CID 62304367
3-(2-methylbutylamino)-3-phenylpropanenitrile
CID 62778386
3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine
CID 43105129
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
(1S)-N-iodo-1-phenylpropan-1-amine
CID 87207146
2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
CID 94396195

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine?
The IUPAC name of N-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine (CID 82924271) is N-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine is CCC(CC)CNC(CCl)c1ccccc1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine?
The InChIKey is VDOBVPXJYATVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-3-12(4-2)11-16-14(10-15)13-8-6-5-7-9-13/h5-9,12,14,16H,3-4,10-11H2,1-2H3.
What are the key properties of N-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine?
N-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-2-ethylbutan-1-amine is sourced from PubChem (CID 82924271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).