1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine

C18H29NO — CID 62385198

IUPAC1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
SMILESCC(C)Cc1ccc(C(C)NCC2CCOCC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)12-16-4-6-18(7-5-16)15(3)19-13-17-8-10-20-11-9-17/h4-7,14-15,17,19H,8-13H2,1-3H3
InChIKeyRVPSWMNJDSLINH-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.96
Rot. Bonds6

About 1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine

1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 62385198) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
PubChem CID62385198
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
SMILESCC(C)Cc1ccc(C(C)NCC2CCOCC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)12-16-4-6-18(7-5-16)15(3)19-13-17-8-10-20-11-9-17/h4-7,14-15,17,19H,8-13H2,1-3H3
InChIKeyRVPSWMNJDSLINH-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 61024592
N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 54931937
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63455907
1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol
CID 62383936
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 103854849
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-3-ylmethyl)guanidine
CID 111298503
1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43674130
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 63452140
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine (CID 62385198) is 1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine is CC(C)Cc1ccc(C(C)NCC2CCOCC2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is RVPSWMNJDSLINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)12-16-4-6-18(7-5-16)15(3)19-13-17-8-10-20-11-9-17/h4-7,14-15,17,19H,8-13H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine?
1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 62385198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).