N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine

C18H29NO2 — CID 115897346

IUPACN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
SMILESCOc1ccc(CC(C)NC2CCC(C)(C)C2)cc1OC
InChIInChI=1S/C18H29NO2/c1-13(19-15-8-9-18(2,3)12-15)10-14-6-7-16(20-4)17(11-14)21-5/h6-7,11,13,15,19H,8-10,12H2,1-5H3
InChIKeyWPVFVPPEVBOMRQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.80
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine

N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 115897346) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
PubChem CID115897346
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
SMILESCOc1ccc(CC(C)NC2CCC(C)(C)C2)cc1OC
InChIInChI=1S/C18H29NO2/c1-13(19-15-8-9-18(2,3)12-15)10-14-6-7-16(20-4)17(11-14)21-5/h6-7,11,13,15,19H,8-10,12H2,1-5H3
InChIKeyWPVFVPPEVBOMRQ-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80706040
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine
CID 43373330
N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80705084
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine
CID 63359784
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine
CID 103907180
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881518
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80704998
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65082764
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705092
[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol
CID 103786094
N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80692056
N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine
CID 82257445

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine (CID 115897346) is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine is COc1ccc(CC(C)NC2CCC(C)(C)C2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is WPVFVPPEVBOMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(19-15-8-9-18(2,3)12-15)10-14-6-7-16(20-4)17(11-14)21-5/h6-7,11,13,15,19H,8-10,12H2,1-5H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine?
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 115897346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).