N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine

C17H27N — CID 107001147

IUPACN-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)C)cc1)C1CC1(C)C
InChIInChI=1S/C17H27N/c1-6-18-16(15-11-17(15,4)5)14-9-7-13(8-10-14)12(2)3/h7-10,12,15-16,18H,6,11H2,1-5H3
InChIKeySOQXHNNVJNPUFH-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.51
Rot. Bonds5

About N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine

N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine (PubChem CID 107001147) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine
PubChem CID107001147
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)C)cc1)C1CC1(C)C
InChIInChI=1S/C17H27N/c1-6-18-16(15-11-17(15,4)5)14-9-7-13(8-10-14)12(2)3/h7-10,12,15-16,18H,6,11H2,1-5H3
InChIKeySOQXHNNVJNPUFH-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 107004419
N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107004233
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001028
N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001033
N-[(2,2-dimethylcyclopropyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ethanamine
CID 107001259
N-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
CID 107001032
N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine
CID 107001090
6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 107001061
N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107561829
[(2,2-dimethylcyclopropyl)-(4-ethylphenyl)methyl]hydrazine
CID 107005599
N-[(2,2-dimethylcyclopentyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177351
N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 107177413

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine (CID 107001147) is N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine is CCNC(c1ccc(C(C)C)cc1)C1CC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine?
The InChIKey is SOQXHNNVJNPUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-6-18-16(15-11-17(15,4)5)14-9-7-13(8-10-14)12(2)3/h7-10,12,15-16,18H,6,11H2,1-5H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine?
N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 107001147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).