(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine

C10H14ClNO — CID 89360253

IUPAC(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(C[C@H](N)CCl)cc1
InChIInChI=1S/C10H14ClNO/c1-13-10-4-2-8(3-5-10)6-9(12)7-11/h2-5,9H,6-7,12H2,1H3/t9-/m0/s1
InChIKeyFFWGSCTWEHOUMV-VIFPVBQESA-N
MW199.68 g/mol
LogP1.80
Rot. Bonds4

About (2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine

(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine (PubChem CID 89360253) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine
PubChem CID89360253
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(C[C@H](N)CCl)cc1
InChIInChI=1S/C10H14ClNO/c1-13-10-4-2-8(3-5-10)6-9(12)7-11/h2-5,9H,6-7,12H2,1H3/t9-/m0/s1
InChIKeyFFWGSCTWEHOUMV-VIFPVBQESA-N
XLogP1.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
1-(4-methoxyphenyl)pent-4-en-2-amine
CID 14608550
(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
CID 24815980
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 18711783
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine
CID 103039883
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356
(2S)-2-amino-3-(4-methoxyphenyl)propane-1,1-diol
CID 130242528
1-azido-3-(4-methoxyphenyl)propan-2-amine
CID 22054877
1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine
CID 62602516

Frequently Asked Questions

What is the IUPAC name of (2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of (2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine (CID 89360253) is (2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for (2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for (2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine is COc1ccc(C[C@H](N)CCl)cc1.
What is the InChIKey of (2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine?
The InChIKey is FFWGSCTWEHOUMV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14ClNO/c1-13-10-4-2-8(3-5-10)6-9(12)7-11/h2-5,9H,6-7,12H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine?
(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine has a molecular weight of 199.68 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 89360253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).