N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine

C17H27N — CID 43625497

IUPACN-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)C1CC1C
InChIInChI=1S/C17H27N/c1-5-10-18-17(16-11-13(16)4)15-8-6-14(7-9-15)12(2)3/h6-9,12-13,16-18H,5,10-11H2,1-4H3
InChIKeyBIZRLGRHKWNEJK-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.51
Rot. Bonds6

About N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine

N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine (PubChem CID 43625497) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
PubChem CID43625497
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)C1CC1C
InChIInChI=1S/C17H27N/c1-5-10-18-17(16-11-13(16)4)15-8-6-14(7-9-15)12(2)3/h6-9,12-13,16-18H,5,10-11H2,1-4H3
InChIKeyBIZRLGRHKWNEJK-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 43496613
N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 65297277
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine
CID 107289047
N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107562085
2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine
CID 115876411
N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428
N-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine
CID 62079995
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
N-[(4-methylmorpholin-2-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 79095155
N-[(3,4-dimethylcyclohexyl)-(4-iodophenyl)methyl]propan-1-amine
CID 104989552
N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65420429
N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 79755119

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine (CID 43625497) is N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C(C)C)cc1)C1CC1C.
What is the InChIKey of N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The InChIKey is BIZRLGRHKWNEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-10-18-17(16-11-13(16)4)15-8-6-14(7-9-15)12(2)3/h6-9,12-13,16-18H,5,10-11H2,1-4H3.
What are the key properties of N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43625497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).