N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine

C17H27NO2 — CID 103743629

IUPACN-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(CNCC2(C)CCOCC2)c1
InChIInChI=1S/C17H27NO2/c1-3-9-20-16-6-4-5-15(12-16)13-18-14-17(2)7-10-19-11-8-17/h4-6,12,18H,3,7-11,13-14H2,1-2H3
InChIKeyBMNNIDKTMJXSTC-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.38
Rot. Bonds7

About N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine

N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine (PubChem CID 103743629) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine
PubChem CID103743629
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(CNCC2(C)CCOCC2)c1
InChIInChI=1S/C17H27NO2/c1-3-9-20-16-6-4-5-15(12-16)13-18-14-17(2)7-10-19-11-8-17/h4-6,12,18H,3,7-11,13-14H2,1-2H3
InChIKeyBMNNIDKTMJXSTC-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724266
N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103743653
3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
CID 103743628
[1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358849
4-[[[3-(3-methoxypropoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 119115069
1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743600
[4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine
CID 114125954
2-[3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]phenoxy]acetonitrile
CID 81130666
2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine
CID 79353261
4-[3-[[(4-phenyloxan-4-yl)methylamino]methyl]phenoxy]butanenitrile
CID 119108953
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
3-[[(1-methylcyclopropyl)methylamino]methyl]phenol
CID 103724255

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine (CID 103743629) is N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine is CCCOc1cccc(CNCC2(C)CCOCC2)c1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine?
The InChIKey is BMNNIDKTMJXSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-9-20-16-6-4-5-15(12-16)13-18-14-17(2)7-10-19-11-8-17/h4-6,12,18H,3,7-11,13-14H2,1-2H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine?
N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 103743629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).