(2S)-2-(2-chlorophenoxy)butan-1-amine

C10H14ClNO — CID 94266424

IUPAC(2S)-2-(2-chlorophenoxy)butan-1-amine
SMILESCC[C@@H](CN)Oc1ccccc1Cl
InChIInChI=1S/C10H14ClNO/c1-2-8(7-12)13-10-6-4-3-5-9(10)11/h3-6,8H,2,7,12H2,1H3/t8-/m0/s1
InChIKeyQKADNCAHLNNHCV-QMMMGPOBSA-N
MW199.68 g/mol
LogP2.46
Rot. Bonds4

About (2S)-2-(2-chlorophenoxy)butan-1-amine

(2S)-2-(2-chlorophenoxy)butan-1-amine (PubChem CID 94266424) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)butan-1-amine.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)butan-1-amine
PubChem CID94266424
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(2S)-2-(2-chlorophenoxy)butan-1-amine
SMILESCC[C@@H](CN)Oc1ccccc1Cl
InChIInChI=1S/C10H14ClNO/c1-2-8(7-12)13-10-6-4-3-5-9(10)11/h3-6,8H,2,7,12H2,1H3/t8-/m0/s1
InChIKeyQKADNCAHLNNHCV-QMMMGPOBSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride
CID 120593905
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide
CID 119340532
1-(1-bromopropoxy)-2-chlorobenzene
CID 67903690
2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide
CID 119813247
(2-chloro-6-pentan-3-yloxyphenyl)methanol
CID 114320524
N-[2-(2-chlorophenoxy)butyl]prop-2-enamide
CID 146089833
1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836600
N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide
CID 119813227
2-chloro-6-pentan-3-yloxybenzonitrile
CID 114322513
(2S)-3-amino-2-(2-chlorophenoxy)propanoic acid
CID 16730463
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)butan-1-amine?
The IUPAC name of (2S)-2-(2-chlorophenoxy)butan-1-amine (CID 94266424) is (2S)-2-(2-chlorophenoxy)butan-1-amine.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)butan-1-amine?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)butan-1-amine is CC[C@@H](CN)Oc1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)butan-1-amine?
The InChIKey is QKADNCAHLNNHCV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-2-8(7-12)13-10-6-4-3-5-9(10)11/h3-6,8H,2,7,12H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)butan-1-amine?
(2S)-2-(2-chlorophenoxy)butan-1-amine has a molecular weight of 199.68 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)butan-1-amine is sourced from PubChem (CID 94266424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).