cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine

C16H25NO2 — CID 30979844

IUPACcis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
SMILESCOc1ccc(CCN[C@H]2CC[C@@H](C)C2)cc1OC
InChIInChI=1S/C16H25NO2/c1-12-4-6-14(10-12)17-9-8-13-5-7-15(18-2)16(11-13)19-3/h5,7,11-12,14,17H,4,6,8-10H2,1-3H3/t12-,14+/m1/s1
InChIKeyJJZJQWLRGRNPLB-OCCSQVGLSA-N
MW263.38 g/mol
LogP3.02
Rot. Bonds6

About cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine

cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine (PubChem CID 30979844) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
PubChem CID30979844
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namecis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
SMILESCOc1ccc(CCN[C@H]2CC[C@@H](C)C2)cc1OC
InChIInChI=1S/C16H25NO2/c1-12-4-6-14(10-12)17-9-8-13-5-7-15(18-2)16(11-13)19-3/h5,7,11-12,14,17H,4,6,8-10H2,1-3H3/t12-,14+/m1/s1
InChIKeyJJZJQWLRGRNPLB-OCCSQVGLSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 2846430
N-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine
CID 166264057
N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
CID 43608339
(3R,5S)-1-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 97320294
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 65046529
N-[2-(3,4-dimethoxyphenyl)ethyl]thian-3-amine
CID 62871405
N-[2-(3,4-dimethoxyphenyl)ethyl]oxepan-4-amine
CID 65076929
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclopentan-1-amine
CID 64501434
trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 784361
N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64774950

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine (CID 30979844) is cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine is COc1ccc(CCN[C@H]2CC[C@@H](C)C2)cc1OC.
What is the InChIKey of cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine?
The InChIKey is JJZJQWLRGRNPLB-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-4-6-14(10-12)17-9-8-13-5-7-15(18-2)16(11-13)19-3/h5,7,11-12,14,17H,4,6,8-10H2,1-3H3/t12-,14+/m1/s1.
What are the key properties of cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine?
cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 30979844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).