2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine

C10H15ClN2O — CID 43115381

IUPAC2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
SMILESCOCC(C)Nc1ccc(N)cc1Cl
InChIInChI=1S/C10H15ClN2O/c1-7(6-14-2)13-10-4-3-8(12)5-9(10)11/h3-5,7,13H,6,12H2,1-2H3
InChIKeyJWLRDGCTFTWHBK-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.37
Rot. Bonds4

About 2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine

2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine (PubChem CID 43115381) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
PubChem CID43115381
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
SMILESCOCC(C)Nc1ccc(N)cc1Cl
InChIInChI=1S/C10H15ClN2O/c1-7(6-14-2)13-10-4-3-8(12)5-9(10)11/h3-5,7,13H,6,12H2,1-2H3
InChIKeyJWLRDGCTFTWHBK-UHFFFAOYSA-N
XLogP2.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 43078501
2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 104726031
3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 86657661
3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline
CID 62535633
2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 19807713
3-N-(4-methoxybutan-2-yl)-4-methylbenzene-1,3-diamine
CID 64600487
(2S)-2-(4-amino-2-chloroanilino)-3-methylbutan-1-ol
CID 79248045
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 62534108
4-chloro-3-(1-methoxypropan-2-ylamino)benzamide
CID 62536792
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride
CID 126809410
3-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzene-1,3-diamine
CID 65047711

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine (CID 43115381) is 2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine is COCC(C)Nc1ccc(N)cc1Cl.
What is the InChIKey of 2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine?
The InChIKey is JWLRDGCTFTWHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-7(6-14-2)13-10-4-3-8(12)5-9(10)11/h3-5,7,13H,6,12H2,1-2H3.
What are the key properties of 2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine?
2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine has a molecular weight of 214.70 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 43115381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).