(1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride

C10H15Cl2N — CID 12513031

IUPAC(1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride
SMILESC[C@H](NCCCl)c1ccccc1.Cl
InChIInChI=1S/C10H14ClN.ClH/c1-9(12-8-7-11)10-5-3-2-4-6-10;/h2-6,9,12H,7-8H2,1H3;1H/t9-;/m0./s1
InChIKeyWZRCVXBCXASHDN-FVGYRXGTSA-N
MW220.14 g/mol
LogP3.00
Rot. Bonds4

About (1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride

(1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride (PubChem CID 12513031) has the molecular formula C10H15Cl2N and a molecular weight of 220.14 g/mol. Its IUPAC name is (1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride
PubChem CID12513031
Molecular FormulaC10H15Cl2N
Molecular Weight220.14 g/mol
Exact Mass219.06
IUPAC Name(1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride
SMILESC[C@H](NCCCl)c1ccccc1.Cl
InChIInChI=1S/C10H14ClN.ClH/c1-9(12-8-7-11)10-5-3-2-4-6-10;/h2-6,9,12H,7-8H2,1H3;1H/t9-;/m0./s1
InChIKeyWZRCVXBCXASHDN-FVGYRXGTSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 53.00
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

N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
3-(1-phenylethylamino)propanoic acid
CID 2826777
1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103912531
1-chloro-3-(1-phenylethylamino)propan-2-ol
CID 14089777
2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol
CID 10889092
ethane;[[(1R)-1-phenylethyl]amino]methanol
CID 157126803
3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 95168121

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride?
The IUPAC name of (1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride (CID 12513031) is (1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride.
What is the SMILES notation for (1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride?
The canonical SMILES for (1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride is C[C@H](NCCCl)c1ccccc1.Cl.
What is the InChIKey of (1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride?
The InChIKey is WZRCVXBCXASHDN-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H14ClN.ClH/c1-9(12-8-7-11)10-5-3-2-4-6-10;/h2-6,9,12H,7-8H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride?
(1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride has a molecular weight of 220.14 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 12513031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).