2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine

C11H22ClNO — CID 106365311

IUPAC2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
SMILESCOCC(C)NC1CCCCC1CCl
InChIInChI=1S/C11H22ClNO/c1-9(8-14-2)13-11-6-4-3-5-10(11)7-12/h9-11,13H,3-8H2,1-2H3
InChIKeyMBMPFTFZHRCZJD-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.41
Rot. Bonds5

About 2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine

2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine (PubChem CID 106365311) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
PubChem CID106365311
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
SMILESCOCC(C)NC1CCCCC1CCl
InChIInChI=1S/C11H22ClNO/c1-9(8-14-2)13-11-6-4-3-5-10(11)7-12/h9-11,13H,3-8H2,1-2H3
InChIKeyMBMPFTFZHRCZJD-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine 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

2-methoxy-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
CID 2850085
cis-(1R,2S)-2-methoxy-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine
CID 11871353
trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide
CID 124829798
2-(1-methoxypropan-2-ylamino)cyclopentan-1-ol
CID 60713672
2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile
CID 62741099
[2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol
CID 115722501
trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine
CID 130921581
2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 106365344
N-(1-methoxypropan-2-yl)-2,3-dimethylcyclopentan-1-amine
CID 64907132
2-(chloromethyl)-N-(3-methoxypropyl)cyclopentan-1-amine
CID 106364907
2-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 106365230
N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide
CID 106367782

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine (CID 106365311) is 2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine is COCC(C)NC1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine?
The InChIKey is MBMPFTFZHRCZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-9(8-14-2)13-11-6-4-3-5-10(11)7-12/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine?
2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine has a molecular weight of 219.76 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 106365311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).