2-chloro-N-(1-methoxypropan-2-yl)aniline

C10H14ClNO — CID 62535626

IUPAC2-chloro-N-(1-methoxypropan-2-yl)aniline
SMILESCOCC(C)Nc1ccccc1Cl
InChIInChI=1S/C10H14ClNO/c1-8(7-13-2)12-10-6-4-3-5-9(10)11/h3-6,8,12H,7H2,1-2H3
InChIKeySSDRHFLVVORMTC-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.79
Rot. Bonds4

About 2-chloro-N-(1-methoxypropan-2-yl)aniline

2-chloro-N-(1-methoxypropan-2-yl)aniline (PubChem CID 62535626) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxypropan-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-N-(1-methoxypropan-2-yl)aniline
PubChem CID62535626
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-chloro-N-(1-methoxypropan-2-yl)aniline
SMILESCOCC(C)Nc1ccccc1Cl
InChIInChI=1S/C10H14ClNO/c1-8(7-13-2)12-10-6-4-3-5-9(10)11/h3-6,8,12H,7H2,1-2H3
InChIKeySSDRHFLVVORMTC-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline
CID 62535633
2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 43115381
2-N-(2-chlorophenyl)-4-methoxy-3-methylbutane-1,2-diamine
CID 116501809
2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline
CID 66251264
2-(1-methoxypropan-2-ylamino)benzonitrile
CID 43180296
2-(2-chloroanilino)-4-methoxy-3-methylbutanamide
CID 116501929
N-(1-methoxypropan-2-yl)-2-propoxyaniline
CID 62534500
N-(1-methoxypropan-2-yl)-2-piperidin-1-ylaniline
CID 62534686
2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 104726031
2-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 43454220
2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 43078501
4-chloro-3-(1-methoxypropan-2-ylamino)benzamide
CID 62536792

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)aniline?
The IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)aniline (CID 62535626) is 2-chloro-N-(1-methoxypropan-2-yl)aniline.
What is the SMILES notation for 2-chloro-N-(1-methoxypropan-2-yl)aniline?
The canonical SMILES for 2-chloro-N-(1-methoxypropan-2-yl)aniline is COCC(C)Nc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(1-methoxypropan-2-yl)aniline?
The InChIKey is SSDRHFLVVORMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-8(7-13-2)12-10-6-4-3-5-9(10)11/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 2-chloro-N-(1-methoxypropan-2-yl)aniline?
2-chloro-N-(1-methoxypropan-2-yl)aniline has a molecular weight of 199.68 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxypropan-2-yl)aniline is sourced from PubChem (CID 62535626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).