(1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine

C13H20ClNO — CID 81379566

IUPAC(1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCN[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-10(2)16-9-8-15-11(3)12-6-4-5-7-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyJJQFAVWOPQWRKJ-NSHDSACASA-N
MW241.76 g/mol
LogP3.42
Rot. Bonds6

About (1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine

(1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine (PubChem CID 81379566) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine
PubChem CID81379566
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name(1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCN[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-10(2)16-9-8-15-11(3)12-6-4-5-7-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyJJQFAVWOPQWRKJ-NSHDSACASA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine
CID 81378294
(1R)-1-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 81374457
(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-chlorophenyl)ethanamine
CID 81379643
4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906081
N'-[1-(2-chlorophenyl)ethyl]butane-1,4-diamine
CID 60895776
N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81379336
(1S)-N-[2-(3-bromophenoxy)ethyl]-1-(2-chlorophenyl)ethanamine
CID 81378313
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209435
(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81378406
(E)-N-[1-(2-chlorophenyl)ethyl]pent-3-en-1-amine
CID 115677066
N-[(1S)-1-(2-chlorophenyl)ethyl]pent-4-yn-1-amine
CID 103916408
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 81377419

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine (CID 81379566) is (1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine is CC(C)OCCN[C@@H](C)c1ccccc1Cl.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine?
The InChIKey is JJQFAVWOPQWRKJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H20ClNO/c1-10(2)16-9-8-15-11(3)12-6-4-5-7-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine?
(1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine has a molecular weight of 241.76 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine is sourced from PubChem (CID 81379566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).