1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine

C19H24BrN — CID 83149935

IUPAC1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Br)c2ccccc12)C(C)C1CC1
InChIInChI=1S/C19H24BrN/c1-3-12-21-19(13(2)14-8-9-14)17-10-11-18(20)16-7-5-4-6-15(16)17/h4-7,10-11,13-14,19,21H,3,8-9,12H2,1-2H3
InChIKeyDCKGERRNJUPZPD-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.69
Rot. Bonds6

About 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine

1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine (PubChem CID 83149935) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine
PubChem CID83149935
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Br)c2ccccc12)C(C)C1CC1
InChIInChI=1S/C19H24BrN/c1-3-12-21-19(13(2)14-8-9-14)17-10-11-18(20)16-7-5-4-6-15(16)17/h4-7,10-11,13-14,19,21H,3,8-9,12H2,1-2H3
InChIKeyDCKGERRNJUPZPD-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine
CID 79596933
2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 105035388
2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 102758696
2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270
1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155271
2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine
CID 83154785
2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine
CID 105043321
N-(2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethyl)propan-1-amine
CID 116722797
1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
CID 79597280
2-cyclopropyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 83154582
N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine
CID 106851857
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155187

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine?
The IUPAC name of 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine (CID 83149935) is 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine is CCCNC(c1ccc(Br)c2ccccc12)C(C)C1CC1.
What is the InChIKey of 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine?
The InChIKey is DCKGERRNJUPZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-3-12-21-19(13(2)14-8-9-14)17-10-11-18(20)16-7-5-4-6-15(16)17/h4-7,10-11,13-14,19,21H,3,8-9,12H2,1-2H3.
What are the key properties of 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine?
1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine has a molecular weight of 346.31 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine is sourced from PubChem (CID 83149935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).