2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine

C18H29N — CID 83159323

IUPAC2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(Cc1ccc(CC)cc1)C1CC1
InChIInChI=1S/C18H29N/c1-4-12-19-14-18(3,17-10-11-17)13-16-8-6-15(5-2)7-9-16/h6-9,17,19H,4-5,10-14H2,1-3H3
InChIKeyNCYYCSLINZBTBZ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.21
Rot. Bonds8

About 2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine

2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 83159323) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
PubChem CID83159323
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(Cc1ccc(CC)cc1)C1CC1
InChIInChI=1S/C18H29N/c1-4-12-19-14-18(3,17-10-11-17)13-16-8-6-15(5-2)7-9-16/h6-9,17,19H,4-5,10-14H2,1-3H3
InChIKeyNCYYCSLINZBTBZ-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol
CID 83159515
2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine
CID 83183414
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 83160456
2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 83159508
2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509171
2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 83147897
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83150803
3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83149125
2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine
CID 83159330
2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159546
N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 83160159
3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83159897

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine (CID 83159323) is 2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)(Cc1ccc(CC)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is NCYYCSLINZBTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-12-19-14-18(3,17-10-11-17)13-16-8-6-15(5-2)7-9-16/h6-9,17,19H,4-5,10-14H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine?
2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 83159323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).