(4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine

C15H21N — CID 101352377

IUPAC(4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine
SMILESCCN(CC)C1=C(c2ccccc2)C[C@@H]1C
InChIInChI=1S/C15H21N/c1-4-16(5-2)15-12(3)11-14(15)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3/t12-/m0/s1
InChIKeyUHHHDOUOGKOPRT-LBPRGKRZSA-N
MW215.34 g/mol
LogP3.78
Rot. Bonds4

About (4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine

(4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine (PubChem CID 101352377) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine.

Molecular Properties

Compound Name(4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine
PubChem CID101352377
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine
SMILESCCN(CC)C1=C(c2ccccc2)C[C@@H]1C
InChIInChI=1S/C15H21N/c1-4-16(5-2)15-12(3)11-14(15)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3/t12-/m0/s1
InChIKeyUHHHDOUOGKOPRT-LBPRGKRZSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-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

(3S)-N,N-diethyl-3-methyl-5-phenyl-3H-azepin-2-amine
CID 824569
N,N-diethylaniline
CID 7061
N,N-diethyl-3,3-difluoro-4-[4-(4-phenylphenyl)phenyl]-2-oxa-4-azonia-3-boranuidabicyclo[4.4.0]deca-1(6),4,7,9-tetraen-9-amine
CID 58291315
3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione
CID 134977150
(2-fluoro-4-methylcyclopenten-1-yl)benzene
CID 15529228
[(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene
CID 101214144
2-N,2-N-diethyl-5-methyl-6-phenylpyrimidine-2,4-diamine
CID 104846737
(2-ethylcyclopenta-1,3-dien-1-yl)benzene
CID 139667599
N,N-diethylaniline;hydrazine
CID 161037544
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528
4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 130242347

Frequently Asked Questions

What is the IUPAC name of (4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine?
The IUPAC name of (4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine (CID 101352377) is (4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine.
What is the SMILES notation for (4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine?
The canonical SMILES for (4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine is CCN(CC)C1=C(c2ccccc2)C[C@@H]1C.
What is the InChIKey of (4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine?
The InChIKey is UHHHDOUOGKOPRT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N/c1-4-16(5-2)15-12(3)11-14(15)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3/t12-/m0/s1.
What are the key properties of (4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine?
(4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine is sourced from PubChem (CID 101352377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).