N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine

C17H27NO — CID 116714965

IUPACN-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)C1(OC)CCC1
InChIInChI=1S/C17H27NO/c1-4-12-18-16(17(19-3)10-7-11-17)13-15-9-6-5-8-14(15)2/h5-6,8-9,16,18H,4,7,10-13H2,1-3H3
InChIKeyYYIZNAHRWHICFM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.47
Rot. Bonds7

About N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine

N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 116714965) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID116714965
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)C1(OC)CCC1
InChIInChI=1S/C17H27NO/c1-4-12-18-16(17(19-3)10-7-11-17)13-15-9-6-5-8-14(15)2/h5-6,8-9,16,18H,4,7,10-13H2,1-3H3
InChIKeyYYIZNAHRWHICFM-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 116762389
N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine
CID 105374330
N-[2-(2-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763369
1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 116762893
N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine
CID 116763351
N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine
CID 79058648
2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714652
N-[2-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714785
N-[1-(1-methoxycyclobutyl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 116714829
N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714808
N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714803
2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 105374348

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine (CID 116714965) is N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1C)C1(OC)CCC1.
What is the InChIKey of N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is YYIZNAHRWHICFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-12-18-16(17(19-3)10-7-11-17)13-15-9-6-5-8-14(15)2/h5-6,8-9,16,18H,4,7,10-13H2,1-3H3.
What are the key properties of N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 116714965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).