[3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine

C12H18ClNO — CID 102663509

IUPAC[3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
SMILESCC(C)(C)OCc1ccc(CN)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-12(2,3)15-8-10-5-4-9(7-14)6-11(10)13/h4-6H,7-8,14H2,1-3H3
InChIKeyIUPJKSNCJCGHAT-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.11
Rot. Bonds3

About [3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine

[3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine (PubChem CID 102663509) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is [3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
PubChem CID102663509
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name[3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
SMILESCC(C)(C)OCc1ccc(CN)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-12(2,3)15-8-10-5-4-9(7-14)6-11(10)13/h4-6H,7-8,14H2,1-3H3
InChIKeyIUPJKSNCJCGHAT-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine
CID 102663465
tert-butyl 2-[[4-(aminomethyl)-2-chlorophenyl]methylsulfonyl]acetate
CID 102670663
4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline
CID 169243522
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
CID 102663469
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
[3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine
CID 102663600
[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]methanamine
CID 112587276
3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline
CID 102663561
[4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine
CID 102663616
1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol
CID 102663034
[3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol
CID 102663566
[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
CID 102663575

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine (CID 102663509) is [3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine is CC(C)(C)OCc1ccc(CN)cc1Cl.
What is the InChIKey of [3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine?
The InChIKey is IUPJKSNCJCGHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-12(2,3)15-8-10-5-4-9(7-14)6-11(10)13/h4-6H,7-8,14H2,1-3H3.
What are the key properties of [3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine?
[3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine has a molecular weight of 227.73 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 102663509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).