N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine

C17H27NO — CID 107001090

IUPACN-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OCC)cc1)C1CC1(C)C
InChIInChI=1S/C17H27NO/c1-5-11-18-16(15-12-17(15,3)4)13-7-9-14(10-8-13)19-6-2/h7-10,15-16,18H,5-6,11-12H2,1-4H3
InChIKeyFXUZBGCBNAXGBH-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.17
Rot. Bonds7

About N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine

N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine (PubChem CID 107001090) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine
PubChem CID107001090
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OCC)cc1)C1CC1(C)C
InChIInChI=1S/C17H27NO/c1-5-11-18-16(15-12-17(15,3)4)13-7-9-14(10-8-13)19-6-2/h7-10,15-16,18H,5-6,11-12H2,1-4H3
InChIKeyFXUZBGCBNAXGBH-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine
CID 43495185
N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 63415910
N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107561829
N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43495188
N-[(4-ethoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 115387279
N-[(4-ethoxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627828
1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 107177179
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001092
N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 107001147
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001220
N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine
CID 107001178
[(4-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105300777

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine (CID 107001090) is N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(OCC)cc1)C1CC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine?
The InChIKey is FXUZBGCBNAXGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-11-18-16(15-12-17(15,3)4)13-7-9-14(10-8-13)19-6-2/h7-10,15-16,18H,5-6,11-12H2,1-4H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine?
N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 107001090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).