N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine

C17H29NO — CID 43105785

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine
SMILESCc1ccc(C)c(C(C)NCCCOCC(C)C)c1
InChIInChI=1S/C17H29NO/c1-13(2)12-19-10-6-9-18-16(5)17-11-14(3)7-8-15(17)4/h7-8,11,13,16,18H,6,9-10,12H2,1-5H3
InChIKeyBANSTIKLBSJTQV-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.02
Rot. Bonds8

About N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine

N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine (PubChem CID 43105785) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine
PubChem CID43105785
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine
SMILESCc1ccc(C)c(C(C)NCCCOCC(C)C)c1
InChIInChI=1S/C17H29NO/c1-13(2)12-19-10-6-9-18-16(5)17-11-14(3)7-8-15(17)4/h7-8,11,13,16,18H,6,9-10,12H2,1-5H3
InChIKeyBANSTIKLBSJTQV-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol
CID 43205853
5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol
CID 104582004
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447347
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine
CID 43081126
2-[2-[1-(2,5-dimethylphenyl)ethylamino]ethoxy]acetamide
CID 106235967
N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine
CID 82941407
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine
CID 43205840
2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol
CID 43205159
2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
CID 61169320
N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 112700053
1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol
CID 115729117
3-[1-(2,5-dimethylphenyl)ethylamino]propanamide
CID 43398362

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine (CID 43105785) is N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine is Cc1ccc(C)c(C(C)NCCCOCC(C)C)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine?
The InChIKey is BANSTIKLBSJTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)12-19-10-6-9-18-16(5)17-11-14(3)7-8-15(17)4/h7-8,11,13,16,18H,6,9-10,12H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine?
N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine is sourced from PubChem (CID 43105785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).