N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine

C18H28ClNO — CID 114319831

IUPACN-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCC1CCC(Oc2cccc(Cl)c2CNC(C)(C)C)CC1
InChIInChI=1S/C18H28ClNO/c1-13-8-10-14(11-9-13)21-17-7-5-6-16(19)15(17)12-20-18(2,3)4/h5-7,13-14,20H,8-12H2,1-4H3
InChIKeyNIAFGNSZSMIIPI-UHFFFAOYSA-N
MW309.88 g/mol
LogP5.19
Rot. Bonds4

About N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine

N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 114319831) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine
PubChem CID114319831
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC NameN-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCC1CCC(Oc2cccc(Cl)c2CNC(C)(C)C)CC1
InChIInChI=1S/C18H28ClNO/c1-13-8-10-14(11-9-13)21-17-7-5-6-16(19)15(17)12-20-18(2,3)4/h5-7,13-14,20H,8-12H2,1-4H3
InChIKeyNIAFGNSZSMIIPI-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.88
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 64748080
N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 113276749
N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553109
N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 114319168
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63552561
N-[[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 114319778
N-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine
CID 113276658
4-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]butanenitrile
CID 114319867
N-[[2-chloro-6-(3-methylsulfonylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114319785
3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide
CID 114319843
1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol
CID 114319870
2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline
CID 63552442

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine (CID 114319831) is N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine is CC1CCC(Oc2cccc(Cl)c2CNC(C)(C)C)CC1.
What is the InChIKey of N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is NIAFGNSZSMIIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-13-8-10-14(11-9-13)21-17-7-5-6-16(19)15(17)12-20-18(2,3)4/h5-7,13-14,20H,8-12H2,1-4H3.
What are the key properties of N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine?
N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 309.88 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114319831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).