1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine

C19H30ClN — CID 81025461

IUPAC1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)(C)C)CC1Cc1cccc(Cl)c1
InChIInChI=1S/C19H30ClN/c1-19(2,3)17-9-8-15(13-21-4)16(12-17)10-14-6-5-7-18(20)11-14/h5-7,11,15-17,21H,8-10,12-13H2,1-4H3
InChIKeyFDMIONFGTCZKBR-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.18
Rot. Bonds4

About 1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine

1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine (PubChem CID 81025461) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
PubChem CID81025461
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC Name1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)(C)C)CC1Cc1cccc(Cl)c1
InChIInChI=1S/C19H30ClN/c1-19(2,3)17-9-8-15(13-21-4)16(12-17)10-14-6-5-7-18(20)11-14/h5-7,11,15-17,21H,8-10,12-13H2,1-4H3
InChIKeyFDMIONFGTCZKBR-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81030835
N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81029934
1-bromo-3-[(5-tert-butyl-2-chlorocyclohexyl)methyl]benzene
CID 63459699
N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine
CID 81022944
[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81011460
[4-tert-butyl-2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 107889301
4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine
CID 65089981
(3R,4R)-3-[(3-chlorophenyl)methyl]-N-methyloxan-4-amine
CID 97167889
4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol
CID 63461445
1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025168
1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol
CID 60798785
(3R,4S)-3-[(3-chlorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168013

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine (CID 81025461) is 1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine is CNCC1CCC(C(C)(C)C)CC1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine?
The InChIKey is FDMIONFGTCZKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-19(2,3)17-9-8-15(13-21-4)16(12-17)10-14-6-5-7-18(20)11-14/h5-7,11,15-17,21H,8-10,12-13H2,1-4H3.
What are the key properties of 1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine?
1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine has a molecular weight of 307.91 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81025461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).