2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine

C18H31NO — CID 62516134

IUPAC2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine
SMILESCc1ccccc1CC(CCOC(C)C)CNC(C)C
InChIInChI=1S/C18H31NO/c1-14(2)19-13-17(10-11-20-15(3)4)12-18-9-7-6-8-16(18)5/h6-9,14-15,17,19H,10-13H2,1-5H3
InChIKeyRTFFTJLBBGMGMN-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.97
Rot. Bonds9

About 2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine

2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine (PubChem CID 62516134) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine
PubChem CID62516134
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine
SMILESCc1ccccc1CC(CCOC(C)C)CNC(C)C
InChIInChI=1S/C18H31NO/c1-14(2)19-13-17(10-11-20-15(3)4)12-18-9-7-6-8-16(18)5/h6-9,14-15,17,19H,10-13H2,1-5H3
InChIKeyRTFFTJLBBGMGMN-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62514748
2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 103984383
2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol
CID 166179854
2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine
CID 62516668
3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529551
2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63521943
2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine
CID 62719056
2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62528121
N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 60695109
N-tert-butyl-2-[(2-methylphenyl)methyl]-4-propoxybutan-1-amine
CID 106456722
2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine
CID 65180423
6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 104649283

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine?
The IUPAC name of 2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine (CID 62516134) is 2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine is Cc1ccccc1CC(CCOC(C)C)CNC(C)C.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine?
The InChIKey is RTFFTJLBBGMGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(2)19-13-17(10-11-20-15(3)4)12-18-9-7-6-8-16(18)5/h6-9,14-15,17,19H,10-13H2,1-5H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine?
2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 62516134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).