1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine

C17H27NO — CID 103903380

IUPAC1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCC2(C)CCOCC2)cc1C
InChIInChI=1S/C17H27NO/c1-13-5-6-16(11-14(13)2)15(3)18-12-17(4)7-9-19-10-8-17/h5-6,11,15,18H,7-10,12H2,1-4H3
InChIKeySBVKRZFSSRKXRI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.77
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine

1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine (PubChem CID 103903380) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
PubChem CID103903380
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCC2(C)CCOCC2)cc1C
InChIInChI=1S/C17H27NO/c1-13-5-6-16(11-14(13)2)15(3)18-12-17(4)7-9-19-10-8-17/h5-6,11,15,18H,7-10,12H2,1-4H3
InChIKeySBVKRZFSSRKXRI-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine
CID 103742213
N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 115893048
N-[(4-methyloxan-4-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 103903337
N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 103903333
1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 107093854
1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 103903386
N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113348796
(3R)-3-[[[(1R)-1-(4-bromo-3-methylphenyl)ethyl]amino]methyl]oxolan-3-ol
CID 100679283
N-[(4-methyloxan-4-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 103903352
1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 103903366
N-[[4-(3,4-dimethylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 55131240
N-[(1-methylcyclopentyl)methyl]-1-naphthalen-2-ylethanamine
CID 63821863

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine (CID 103903380) is 1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine is Cc1ccc(C(C)NCC2(C)CCOCC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The InChIKey is SBVKRZFSSRKXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-5-6-16(11-14(13)2)15(3)18-12-17(4)7-9-19-10-8-17/h5-6,11,15,18H,7-10,12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 103903380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).