cis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine

C18H21N — CID 178197780

IUPACcis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)[C@H](N)[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-18(2)16(17(18)19)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-17H,19H2,1-2H3/t16-,17-/m1/s1
InChIKeyNVTVECXLMRMORG-IAGOWNOFSA-N
MW251.37 g/mol
LogP3.80
Rot. Bonds3

About cis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine

cis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine (PubChem CID 178197780) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is cis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine
PubChem CID178197780
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Namecis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)[C@H](N)[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-18(2)16(17(18)19)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-17H,19H2,1-2H3/t16-,17-/m1/s1
InChIKeyNVTVECXLMRMORG-IAGOWNOFSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
ethane;(1R)-1-phenylethanamine
CID 142977390
CID 174377533
CID 174377533
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
cumene;2-methylpropane
CID 90828344
cumene;hydrogen peroxide
CID 21225480
cumene;zinc
CID 159490121
1-phenylethylbenzene;stibane
CID 174965918

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of cis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine (CID 178197780) is cis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine is CC1(C)[C@H](N)[C@H]1C(c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine?
The InChIKey is NVTVECXLMRMORG-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H21N/c1-18(2)16(17(18)19)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-17H,19H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of cis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine?
cis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 178197780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).