N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine

C16H24BrN — CID 65082609

IUPACN-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(NCc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H24BrN/c1-2-13-4-3-5-16(11-8-13)18-12-14-6-9-15(17)10-7-14/h6-7,9-10,13,16,18H,2-5,8,11-12H2,1H3
InChIKeyBGOOKWMXAZJFGB-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.90
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine

N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine (PubChem CID 65082609) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
PubChem CID65082609
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(NCc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H24BrN/c1-2-13-4-3-5-16(11-8-13)18-12-14-6-9-15(17)10-7-14/h6-7,9-10,13,16,18H,2-5,8,11-12H2,1H3
InChIKeyBGOOKWMXAZJFGB-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 66473412
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122665
N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 79983701
N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine
CID 43282937
N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 55240005
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454771

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine (CID 65082609) is N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine is CCC1CCCC(NCc2ccc(Br)cc2)CC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine?
The InChIKey is BGOOKWMXAZJFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-2-13-4-3-5-16(11-8-13)18-12-14-6-9-15(17)10-7-14/h6-7,9-10,13,16,18H,2-5,8,11-12H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine?
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 65082609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).