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

C15H22ClN — CID 114081541

IUPACN-[[2-[(4-chlorophenyl)methyl]-2-methylcyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-11(2)17-10-13-9-15(13,3)8-12-4-6-14(16)7-5-12/h4-7,11,13,17H,8-10H2,1-3H3
InChIKeyDRFODOQRYUDEEB-UHFFFAOYSA-N
MW251.80 g/mol
LogP3.91
Rot. Bonds5

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

N-[[2-[(4-chlorophenyl)methyl]-2-methylcyclopropyl]methyl]propan-2-amine (PubChem CID 114081541) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methyl]-2-methylcyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methyl]-2-methylcyclopropyl]methyl]propan-2-amine
PubChem CID114081541
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[[2-[(4-chlorophenyl)methyl]-2-methylcyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-11(2)17-10-13-9-15(13,3)8-12-4-6-14(16)7-5-12/h4-7,11,13,17H,8-10H2,1-3H3
InChIKeyDRFODOQRYUDEEB-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(4-chlorophenyl)methyl]-2-methylcyclopropyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-ethyl-2-methylcyclopropyl)methyl]propan-2-amine
CID 62704797
N-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine
CID 62709115
1-chloro-4-[(1-methylcyclopropyl)methyl]benzene
CID 134855306
1-[1-[(4-chlorophenyl)methyl]cyclopropyl]-N-ethylethanamine
CID 106797878
N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196271
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80999920
N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 114107583
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 103042330
N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
CID 43183248
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
N-[(4-chlorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959809
2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241822

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methyl]-2-methylcyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(4-chlorophenyl)methyl]-2-methylcyclopropyl]methyl]propan-2-amine (CID 114081541) is N-[[2-[(4-chlorophenyl)methyl]-2-methylcyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methyl]-2-methylcyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methyl]-2-methylcyclopropyl]methyl]propan-2-amine is CC(C)NCC1CC1(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methyl]-2-methylcyclopropyl]methyl]propan-2-amine?
The InChIKey is DRFODOQRYUDEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-11(2)17-10-13-9-15(13,3)8-12-4-6-14(16)7-5-12/h4-7,11,13,17H,8-10H2,1-3H3.
What are the key properties of N-[[2-[(4-chlorophenyl)methyl]-2-methylcyclopropyl]methyl]propan-2-amine?
N-[[2-[(4-chlorophenyl)methyl]-2-methylcyclopropyl]methyl]propan-2-amine has a molecular weight of 251.80 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenyl)methyl]-2-methylcyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 114081541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).