(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine

C18H27NO — CID 107191370

IUPAC(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
SMILESCC1(C)CCCCC1C(N)c1cccc(OC2CC2)c1
InChIInChI=1S/C18H27NO/c1-18(2)11-4-3-8-16(18)17(19)13-6-5-7-15(12-13)20-14-9-10-14/h5-7,12,14,16-17H,3-4,8-11,19H2,1-2H3
InChIKeyWOZQHKOEINVEQZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.44
Rot. Bonds4

About (3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine

(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine (PubChem CID 107191370) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
PubChem CID107191370
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
SMILESCC1(C)CCCCC1C(N)c1cccc(OC2CC2)c1
InChIInChI=1S/C18H27NO/c1-18(2)11-4-3-8-16(18)17(19)13-6-5-7-15(12-13)20-14-9-10-14/h5-7,12,14,16-17H,3-4,8-11,19H2,1-2H3
InChIKeyWOZQHKOEINVEQZ-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 107188677
1-(3-cyclopropyloxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107191377
N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191369
1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114521860
(2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine
CID 107191314
(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
CID 107176964
(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107193010
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
(2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107177030
(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
CID 66517730
(3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine
CID 114521682

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine?
The IUPAC name of (3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine (CID 107191370) is (3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine is CC1(C)CCCCC1C(N)c1cccc(OC2CC2)c1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine?
The InChIKey is WOZQHKOEINVEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2)11-4-3-8-16(18)17(19)13-6-5-7-15(12-13)20-14-9-10-14/h5-7,12,14,16-17H,3-4,8-11,19H2,1-2H3.
What are the key properties of (3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine?
(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine has a molecular weight of 273.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 107191370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).