1,2,2,3-tetramethyl-4-phenylcyclohexane-1,4-diamine

C16H26N2 — CID 175267010

IUPAC1,2,2,3-tetramethyl-4-phenylcyclohexane-1,4-diamine
SMILESCC1C(N)(c2ccccc2)CCC(C)(N)C1(C)C
InChIInChI=1S/C16H26N2/c1-12-14(2,3)15(4,17)10-11-16(12,18)13-8-6-5-7-9-13/h5-9,12H,10-11,17-18H2,1-4H3
InChIKeyHTBXYLRDIOQMEL-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.01
Rot. Bonds1

About 1,2,2,3-tetramethyl-4-phenylcyclohexane-1,4-diamine

1,2,2,3-tetramethyl-4-phenylcyclohexane-1,4-diamine (PubChem CID 175267010) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1,2,2,3-tetramethyl-4-phenylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1,2,2,3-tetramethyl-4-phenylcyclohexane-1,4-diamine
PubChem CID175267010
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1,2,2,3-tetramethyl-4-phenylcyclohexane-1,4-diamine
SMILESCC1C(N)(c2ccccc2)CCC(C)(N)C1(C)C
InChIInChI=1S/C16H26N2/c1-12-14(2,3)15(4,17)10-11-16(12,18)13-8-6-5-7-9-13/h5-9,12H,10-11,17-18H2,1-4H3
InChIKeyHTBXYLRDIOQMEL-UHFFFAOYSA-N
XLogP3.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-1-phenylcyclohexan-1-amine
CID 64776190
cis-(1R,2S)-2-fluoro-1-phenylcyclopropan-1-amine
CID 11457782
4-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259718
(2R)-2-iodo-1-phenylcyclopentan-1-amine
CID 54205127
(1S,4R,5S,6S)-5,6-dimethyl-1,4-diphenyl-2,3-diazabicyclo[2.2.2]oct-2-ene
CID 10708640
4-fluoro-1-phenylcyclohexan-1-amine
CID 83853906
(2,2-dibromo-1,3-dimethylcyclopropyl)benzene
CID 14471431
4-phenylcuban-1-amine
CID 102362508
trans-(1S,3R)-3-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259850
1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane
CID 161422444
(3R,4R)-4-amino-4-phenylpiperidin-3-ol
CID 169414265
(3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride
CID 171338829

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethyl-4-phenylcyclohexane-1,4-diamine?
The IUPAC name of 1,2,2,3-tetramethyl-4-phenylcyclohexane-1,4-diamine (CID 175267010) is 1,2,2,3-tetramethyl-4-phenylcyclohexane-1,4-diamine.
What is the SMILES notation for 1,2,2,3-tetramethyl-4-phenylcyclohexane-1,4-diamine?
The canonical SMILES for 1,2,2,3-tetramethyl-4-phenylcyclohexane-1,4-diamine is CC1C(N)(c2ccccc2)CCC(C)(N)C1(C)C.
What is the InChIKey of 1,2,2,3-tetramethyl-4-phenylcyclohexane-1,4-diamine?
The InChIKey is HTBXYLRDIOQMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-14(2,3)15(4,17)10-11-16(12,18)13-8-6-5-7-9-13/h5-9,12H,10-11,17-18H2,1-4H3.
What are the key properties of 1,2,2,3-tetramethyl-4-phenylcyclohexane-1,4-diamine?
1,2,2,3-tetramethyl-4-phenylcyclohexane-1,4-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethyl-4-phenylcyclohexane-1,4-diamine is sourced from PubChem (CID 175267010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).