N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine

C12H18ClNO — CID 115263189

IUPACN-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(CN(C)CCl)cc1
InChIInChI=1S/C12H18ClNO/c1-10(2)15-12-6-4-11(5-7-12)8-14(3)9-13/h4-7,10H,8-9H2,1-3H3
InChIKeyKENQCZJSGXGYCA-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.10
Rot. Bonds5

About N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine

N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 115263189) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID115263189
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC NameN-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(CN(C)CCl)cc1
InChIInChI=1S/C12H18ClNO/c1-10(2)15-12-6-4-11(5-7-12)8-14(3)9-13/h4-7,10H,8-9H2,1-3H3
InChIKeyKENQCZJSGXGYCA-UHFFFAOYSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(bromomethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115262054
3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine
CID 115119849
4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one
CID 115235805
N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine
CID 115259585
2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol
CID 115133454
3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine
CID 115134836
N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 115263261
1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916427
1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine
CID 115117506
N-(chloromethyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 115263223
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263145

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine (CID 115263189) is N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine is CC(C)Oc1ccc(CN(C)CCl)cc1.
What is the InChIKey of N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is KENQCZJSGXGYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-10(2)15-12-6-4-11(5-7-12)8-14(3)9-13/h4-7,10H,8-9H2,1-3H3.
What are the key properties of N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine?
N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 227.73 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 115263189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).