(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine

C17H27NO — CID 107178150

IUPAC(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)C2CCCC2(C)C)cc1C
InChIInChI=1S/C17H27NO/c1-11-9-13(10-12(2)16(11)19-5)15(18)14-7-6-8-17(14,3)4/h9-10,14-15H,6-8,18H2,1-5H3
InChIKeyKJMLOWKMDJFMPJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.14
Rot. Bonds3

About (2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine

(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine (PubChem CID 107178150) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
PubChem CID107178150
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)C2CCCC2(C)C)cc1C
InChIInChI=1S/C17H27NO/c1-11-9-13(10-12(2)16(11)19-5)15(18)14-7-6-8-17(14,3)4/h9-10,14-15H,6-8,18H2,1-5H3
InChIKeyKJMLOWKMDJFMPJ-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 107181845
6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83057726
(R)-cyclopropyl-(4-methoxy-3,5-dimethylphenyl)methanamine;hydrochloride
CID 171211641
3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine
CID 116937420
(3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177072
(4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107177014
(2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 107189233
(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191370
(2,2-dimethylcyclopentyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 107190563
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 83154112
1-[bromo-(2,2-dimethylcyclopentyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 107182325
(4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107177011

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine?
The IUPAC name of (2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine (CID 107178150) is (2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine is COc1c(C)cc(C(N)C2CCCC2(C)C)cc1C.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine?
The InChIKey is KJMLOWKMDJFMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11-9-13(10-12(2)16(11)19-5)15(18)14-7-6-8-17(14,3)4/h9-10,14-15H,6-8,18H2,1-5H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine?
(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 107178150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).