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

C17H29NO — CID 62514748

IUPACN-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
SMILESCCNCC(CCOC(C)C)Cc1ccccc1C
InChIInChI=1S/C17H29NO/c1-5-18-13-16(10-11-19-14(2)3)12-17-9-7-6-8-15(17)4/h6-9,14,16,18H,5,10-13H2,1-4H3
InChIKeyXKTGKPWTZIZTKF-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.58
Rot. Bonds9

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

N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine (PubChem CID 62514748) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
PubChem CID62514748
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
SMILESCCNCC(CCOC(C)C)Cc1ccccc1C
InChIInChI=1S/C17H29NO/c1-5-18-13-16(10-11-19-14(2)3)12-17-9-7-6-8-15(17)4/h6-9,14,16,18H,5,10-13H2,1-4H3
InChIKeyXKTGKPWTZIZTKF-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine
CID 62516134
N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine
CID 103183382
N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 62528305
N-ethyl-2-[(2-methylphenyl)methyl]-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617665
2-[(3-bromophenyl)methyl]-N-ethyl-4-propan-2-yloxybutan-1-amine
CID 62514915
2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine
CID 62719056
5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine
CID 55083208
2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine
CID 62516668
N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
CID 83148264
2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 106930678
N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456726
2-[(5-bromo-2-pyridinyl)methyl]-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 104810521

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine?
The IUPAC name of N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine (CID 62514748) is N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine is CCNCC(CCOC(C)C)Cc1ccccc1C.
What is the InChIKey of N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine?
The InChIKey is XKTGKPWTZIZTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-18-13-16(10-11-19-14(2)3)12-17-9-7-6-8-15(17)4/h6-9,14,16,18H,5,10-13H2,1-4H3.
What are the key properties of N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine?
N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 62514748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).