N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine

C16H18BrN — CID 79596933

IUPACN-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine
SMILESCCNC(c1ccc(Br)c2ccccc12)C1CC1
InChIInChI=1S/C16H18BrN/c1-2-18-16(11-7-8-11)14-9-10-15(17)13-6-4-3-5-12(13)14/h3-6,9-11,16,18H,2,7-8H2,1H3
InChIKeyVCZPCSRJBMSXRE-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.66
Rot. Bonds4

About N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine

N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine (PubChem CID 79596933) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine
PubChem CID79596933
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC NameN-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine
SMILESCCNC(c1ccc(Br)c2ccccc12)C1CC1
InChIInChI=1S/C16H18BrN/c1-2-18-16(11-7-8-11)14-9-10-15(17)13-6-4-3-5-12(13)14/h3-6,9-11,16,18H,2,7-8H2,1H3
InChIKeyVCZPCSRJBMSXRE-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl(quinolin-4-yl)methyl]ethanamine
CID 105157242
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83149935
1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
CID 79597280
N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine
CID 106851857
N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
CID 105157205
1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 79597072
N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine
CID 43492609
N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine
CID 106858770
N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine
CID 79597209
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine
CID 105027710
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
CID 43488686

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine?
The IUPAC name of N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine (CID 79596933) is N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine.
What is the SMILES notation for N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine?
The canonical SMILES for N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine is CCNC(c1ccc(Br)c2ccccc12)C1CC1.
What is the InChIKey of N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine?
The InChIKey is VCZPCSRJBMSXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-2-18-16(11-7-8-11)14-9-10-15(17)13-6-4-3-5-12(13)14/h3-6,9-11,16,18H,2,7-8H2,1H3.
What are the key properties of N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine?
N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine has a molecular weight of 304.23 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine is sourced from PubChem (CID 79596933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).