N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine

C17H27NO — CID 103559035

IUPACN-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)c1cccc(C)c1
InChIInChI=1S/C17H27NO/c1-4-11-18-16(13-17(19-3)9-6-10-17)15-8-5-7-14(2)12-15/h5,7-8,12,16,18H,4,6,9-11,13H2,1-3H3
InChIKeyKKGXBCZNKHEUED-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.99
Rot. Bonds7

About N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine

N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 103559035) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID103559035
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)c1cccc(C)c1
InChIInChI=1S/C17H27NO/c1-4-11-18-16(13-17(19-3)9-6-10-17)15-8-5-7-14(2)12-15/h5,7-8,12,16,18H,4,6,9-11,13H2,1-3H3
InChIKeyKKGXBCZNKHEUED-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559669
N-[1-(3-chloro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 107561577
N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556420
N-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559256
N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559312
1-(3-chlorophenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559092
N-ethyl-2-(1-methoxycyclobutyl)-1-phenylethanamine
CID 103556215
N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 103559672
N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62693018
N-[1-(4-bromo-2,5-difluorophenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556382
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556428
N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine (CID 103559035) is N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine is CCCNC(CC1(OC)CCC1)c1cccc(C)c1.
What is the InChIKey of N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is KKGXBCZNKHEUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-11-18-16(13-17(19-3)9-6-10-17)15-8-5-7-14(2)12-15/h5,7-8,12,16,18H,4,6,9-11,13H2,1-3H3.
What are the key properties of N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine?
N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 103559035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).