4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine

C18H28BrNO — CID 83150672

IUPAC4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)(CCOc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C18H28BrNO/c1-14(2)12-20-13-18(3,15-4-5-15)10-11-21-17-8-6-16(19)7-9-17/h6-9,14-15,20H,4-5,10-13H2,1-3H3
InChIKeyCMJYCKSKUPQQSI-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.88
Rot. Bonds9

About 4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine

4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 83150672) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID83150672
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)(CCOc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C18H28BrNO/c1-14(2)12-20-13-18(3,15-4-5-15)10-11-21-17-8-6-16(19)7-9-17/h6-9,14-15,20H,4-5,10-13H2,1-3H3
InChIKeyCMJYCKSKUPQQSI-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83159358
N-[3-(4-bromophenoxy)propyl]-2-methylpropan-1-amine
CID 62455102
2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine
CID 83160593
N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine
CID 83159980
N-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62454415
2-[2-(4-bromophenoxy)ethyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63522937
4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine
CID 62726090
2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
CID 55107238
2-[2-(4-bromophenoxy)ethyl]-2-propan-2-ylpropane-1,3-diol
CID 79450916
2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol
CID 83150034
N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62593126
3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83159897

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 83150672) is 4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(C)(CCOc1ccc(Br)cc1)C1CC1.
What is the InChIKey of 4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is CMJYCKSKUPQQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-14(2)12-20-13-18(3,15-4-5-15)10-11-21-17-8-6-16(19)7-9-17/h6-9,14-15,20H,4-5,10-13H2,1-3H3.
What are the key properties of 4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine?
4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 354.33 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 83150672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).