N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine

C17H26IN — CID 81031877

IUPACN-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1Cc1ccc(I)cc1
InChIInChI=1S/C17H26IN/c1-3-19-12-15-7-4-13(2)10-16(15)11-14-5-8-17(18)9-6-14/h5-6,8-9,13,15-16,19H,3-4,7,10-12H2,1-2H3
InChIKeyNLVRKKVJRLPWSU-UHFFFAOYSA-N
MW371.31 g/mol
LogP4.50
Rot. Bonds5

About N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine

N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine (PubChem CID 81031877) has the molecular formula C17H26IN and a molecular weight of 371.31 g/mol. Its IUPAC name is N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
PubChem CID81031877
Molecular FormulaC17H26IN
Molecular Weight371.31 g/mol
Exact Mass371.11
IUPAC NameN-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1Cc1ccc(I)cc1
InChIInChI=1S/C17H26IN/c1-3-19-12-15-7-4-13(2)10-16(15)11-14-5-8-17(18)9-6-14/h5-6,8-9,13,15-16,19H,3-4,7,10-12H2,1-2H3
InChIKeyNLVRKKVJRLPWSU-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(3-chloro-4-fluorophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 103042349
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81031502
N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81032336
N-[(2-benzylcyclopropyl)methyl]ethanamine
CID 62703862
N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017966
N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 104737396
N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81029704
3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol
CID 65490568
N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 105411527
1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
CID 82934724
N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81029934
N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-methylcyclohexyl]methyl]propan-1-amine
CID 104813926

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine (CID 81031877) is N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine is CCNCC1CCC(C)CC1Cc1ccc(I)cc1.
What is the InChIKey of N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine?
The InChIKey is NLVRKKVJRLPWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26IN/c1-3-19-12-15-7-4-13(2)10-16(15)11-14-5-8-17(18)9-6-14/h5-6,8-9,13,15-16,19H,3-4,7,10-12H2,1-2H3.
What are the key properties of N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine?
N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine has a molecular weight of 371.31 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81031877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).