N-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C16H22IN — CID 43773476

IUPACN-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESIc1ccccc1NC1CCC2CCCCC2C1
InChIInChI=1S/C16H22IN/c17-15-7-3-4-8-16(15)18-14-10-9-12-5-1-2-6-13(12)11-14/h3-4,7-8,12-14,18H,1-2,5-6,9-11H2
InChIKeyRYVFBNMSGUTIQT-UHFFFAOYSA-N
MW355.26 g/mol
LogP5.06
Rot. Bonds2

About N-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43773476) has the molecular formula C16H22IN and a molecular weight of 355.26 g/mol. Its IUPAC name is N-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43773476
Molecular FormulaC16H22IN
Molecular Weight355.26 g/mol
Exact Mass355.08
IUPAC NameN-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESIc1ccccc1NC1CCC2CCCCC2C1
InChIInChI=1S/C16H22IN/c17-15-7-3-4-8-16(15)18-14-10-9-12-5-1-2-6-13(12)11-14/h3-4,7-8,12-14,18H,1-2,5-6,9-11H2
InChIKeyRYVFBNMSGUTIQT-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.26
LogP ≤ 55.06
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-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43766112
N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43764536
N-(3-cyclopropylcyclohexyl)-2-fluoroaniline
CID 64595816
N-cyclopentyl-2-iodoaniline;2-iodoaniline
CID 159046198
1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64596233
N-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline
CID 64596048
2-iodo-N-(3-phenylcyclobutyl)aniline
CID 43632290
(3S)-N-(2-iodophenyl)thiolan-3-amine
CID 93023740
2-iodo-N-(4-propylcyclohexyl)aniline
CID 28977854
N-(2-iodophenyl)-1-methylazepan-4-amine
CID 65071250
2-[2-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide
CID 64596435
N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline
CID 64594666

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43773476) is N-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is Ic1ccccc1NC1CCC2CCCCC2C1.
What is the InChIKey of N-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is RYVFBNMSGUTIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22IN/c17-15-7-3-4-8-16(15)18-14-10-9-12-5-1-2-6-13(12)11-14/h3-4,7-8,12-14,18H,1-2,5-6,9-11H2.
What are the key properties of N-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 355.26 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43773476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).