(1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine

C14H19F2N — CID 70896872

IUPAC(1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine
SMILESCC1C[C@H](N(C)C)CC1c1ccc(F)cc1F
InChIInChI=1S/C14H19F2N/c1-9-6-11(17(2)3)8-13(9)12-5-4-10(15)7-14(12)16/h4-5,7,9,11,13H,6,8H2,1-3H3/t9?,11-,13?/m0/s1
InChIKeyPRDMQBBTUPBAEB-QDYJBQRPSA-N
MW239.31 g/mol
LogP3.41
Rot. Bonds2

About (1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine

(1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine (PubChem CID 70896872) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is (1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name(1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine
PubChem CID70896872
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine
SMILESCC1C[C@H](N(C)C)CC1c1ccc(F)cc1F
InChIInChI=1S/C14H19F2N/c1-9-6-11(17(2)3)8-13(9)12-5-4-10(15)7-14(12)16/h4-5,7,9,11,13H,6,8H2,1-3H3/t9?,11-,13?/m0/s1
InChIKeyPRDMQBBTUPBAEB-QDYJBQRPSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 20006
CID 20006
CID 65682
CID 65682
CID 30966
CID 30966
CID 130402
CID 130402
CID 13146772
CID 13146772
CID 46212109
CID 46212109
CID 53321081
CID 53321081
CID 22072908
CID 22072908
CID 97772
CID 97772
CID 567866
CID 567866
CID 128974
CID 128974
CID 44281317
CID 44281317

Frequently Asked Questions

What is the IUPAC name of (1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine?
The IUPAC name of (1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine (CID 70896872) is (1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for (1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine?
The canonical SMILES for (1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine is CC1C[C@H](N(C)C)CC1c1ccc(F)cc1F.
What is the InChIKey of (1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine?
The InChIKey is PRDMQBBTUPBAEB-QDYJBQRPSA-N. The full InChI is InChI=1S/C14H19F2N/c1-9-6-11(17(2)3)8-13(9)12-5-4-10(15)7-14(12)16/h4-5,7,9,11,13H,6,8H2,1-3H3/t9?,11-,13?/m0/s1.
What are the key properties of (1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine?
(1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(2,4-difluorophenyl)-N,N,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 70896872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).