[2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol

C11H14ClNO2 — CID 143253898

IUPAC[2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol
SMILESCOC(O)c1cc(NC2CC2)ccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-15-11(14)9-6-8(4-5-10(9)12)13-7-2-3-7/h4-7,11,13-14H,2-3H2,1H3
InChIKeyROTLCXDNRMBQSY-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.55
Rot. Bonds4

About [2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol

[2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol (PubChem CID 143253898) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is [2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol.

Molecular Properties

Compound Name[2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol
PubChem CID143253898
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name[2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol
SMILESCOC(O)c1cc(NC2CC2)ccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-15-11(14)9-6-8(4-5-10(9)12)13-7-2-3-7/h4-7,11,13-14H,2-3H2,1H3
InChIKeyROTLCXDNRMBQSY-UHFFFAOYSA-N
XLogP2.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-chloro-5-(cyclopentylamino)benzoate
CID 43672677
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 107621247
4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine
CID 79724276
4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423296
2-chloro-5-[(1-ethylpiperidin-4-yl)amino]benzoic acid
CID 43736226
N-(3-chloro-4-propan-2-yloxyphenyl)cycloheptanamine
CID 43727113
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
4-(3,4-dichloroanilino)cyclohexane-1-carboxylic acid
CID 112753567
N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine
CID 65080891
2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid
CID 114118376
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol?
The IUPAC name of [2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol (CID 143253898) is [2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol.
What is the SMILES notation for [2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol?
The canonical SMILES for [2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol is COC(O)c1cc(NC2CC2)ccc1Cl.
What is the InChIKey of [2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol?
The InChIKey is ROTLCXDNRMBQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-15-11(14)9-6-8(4-5-10(9)12)13-7-2-3-7/h4-7,11,13-14H,2-3H2,1H3.
What are the key properties of [2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol?
[2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol has a molecular weight of 227.69 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol is sourced from PubChem (CID 143253898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).