N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine

C15H23NO — CID 81022096

IUPACN-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
SMILESCOc1cccc(C(C)(C)CCNC2CC2)c1
InChIInChI=1S/C15H23NO/c1-15(2,9-10-16-13-7-8-13)12-5-4-6-14(11-12)17-3/h4-6,11,13,16H,7-10H2,1-3H3
InChIKeyYYVNZFRJMDQAAM-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.11
Rot. Bonds6

About N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine

N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine (PubChem CID 81022096) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
PubChem CID81022096
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
SMILESCOc1cccc(C(C)(C)CCNC2CC2)c1
InChIInChI=1S/C15H23NO/c1-15(2,9-10-16-13-7-8-13)12-5-4-6-14(11-12)17-3/h4-6,11,13,16H,7-10H2,1-3H3
InChIKeyYYVNZFRJMDQAAM-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023036
N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 79829925
N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine
CID 83068383
N-[2-(3-tert-butylphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 63517538
1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine
CID 115117745
4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 64715949
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 113410343
N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine
CID 64659518
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115207173

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine (CID 81022096) is N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine is COc1cccc(C(C)(C)CCNC2CC2)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
The InChIKey is YYVNZFRJMDQAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,9-10-16-13-7-8-13)12-5-4-6-14(11-12)17-3/h4-6,11,13,16H,7-10H2,1-3H3.
What are the key properties of N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine has a molecular weight of 233.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 81022096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).