amino-(4-chloroanilino)methanol

C7H9ClN2O — CID 163644294

IUPACamino-(4-chloroanilino)methanol
SMILESNC(O)Nc1ccc(Cl)cc1
InChIInChI=1S/C7H9ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4,7,10-11H,9H2
InChIKeyIGXKYOYOPSKVOC-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.99
Rot. Bonds2

About amino-(4-chloroanilino)methanol

amino-(4-chloroanilino)methanol (PubChem CID 163644294) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is amino-(4-chloroanilino)methanol.

Molecular Properties

Compound Nameamino-(4-chloroanilino)methanol
PubChem CID163644294
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Nameamino-(4-chloroanilino)methanol
SMILESNC(O)Nc1ccc(Cl)cc1
InChIInChI=1S/C7H9ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4,7,10-11H,9H2
InChIKeyIGXKYOYOPSKVOC-UHFFFAOYSA-N
XLogP0.99
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N'-(4-chlorophenyl)propane-1,1-diamine
CID 70466572
2-(4-chloroanilino)propanamide
CID 43085931
(2R)-2-(4-chloroanilino)propanoate
CID 7152546
4-chloro-N-propan-2-ylaniline;hydrochloride
CID 18349750
methyl (2S)-2-(4-chloroanilino)propanoate
CID 18442844
(2S)-2-(4-chloroanilino)propan-1-ol
CID 66929513
2-N-(4-chlorophenyl)propane-1,2-diamine
CID 55267436
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
4-chloro-N-(1,1-difluoropropan-2-yl)aniline
CID 102867820
sodium 1-(4-chloroanilino)ethanesulfonic acid
CID 54604428
2-methylpropyl (2S)-2-(4-chloroanilino)propanoate
CID 54074575

Frequently Asked Questions

What is the IUPAC name of amino-(4-chloroanilino)methanol?
The IUPAC name of amino-(4-chloroanilino)methanol (CID 163644294) is amino-(4-chloroanilino)methanol.
What is the SMILES notation for amino-(4-chloroanilino)methanol?
The canonical SMILES for amino-(4-chloroanilino)methanol is NC(O)Nc1ccc(Cl)cc1.
What is the InChIKey of amino-(4-chloroanilino)methanol?
The InChIKey is IGXKYOYOPSKVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4,7,10-11H,9H2.
What are the key properties of amino-(4-chloroanilino)methanol?
amino-(4-chloroanilino)methanol has a molecular weight of 172.62 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(4-chloroanilino)methanol is sourced from PubChem (CID 163644294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).