N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine

C14H21N — CID 115708864

IUPACN-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(CC(C)NCC2CC2)cc1
InChIInChI=1S/C14H21N/c1-11-3-5-13(6-4-11)9-12(2)15-10-14-7-8-14/h3-6,12,14-15H,7-10H2,1-2H3
InChIKeyKQYQTKUDAQJVPY-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.93
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine

N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine (PubChem CID 115708864) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine
PubChem CID115708864
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(CC(C)NCC2CC2)cc1
InChIInChI=1S/C14H21N/c1-11-3-5-13(6-4-11)9-12(2)15-10-14-7-8-14/h3-6,12,14-15H,7-10H2,1-2H3
InChIKeyKQYQTKUDAQJVPY-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopentylmethyl)-1-phenylpropan-2-amine
CID 63012592
1-(4-chlorophenyl)-N-(thian-4-ylmethyl)propan-2-amine
CID 103910777
1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79707723
4-[2-(thiolan-3-ylmethylamino)propyl]phenol
CID 107166188
4-[2-(oxolan-3-ylmethylamino)propyl]phenol
CID 115494210
N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine
CID 115705142
1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 80555461
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
4-[1-(4-methylphenyl)propan-2-ylamino]butan-2-ol
CID 115720232
1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
CID 43677533
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine
CID 114829496

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine (CID 115708864) is N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine is Cc1ccc(CC(C)NCC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine?
The InChIKey is KQYQTKUDAQJVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11-3-5-13(6-4-11)9-12(2)15-10-14-7-8-14/h3-6,12,14-15H,7-10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine?
N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine has a molecular weight of 203.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 115708864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).