5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline

C17H25BrN2 — CID 82968406

IUPAC5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline
SMILESC=CCN(c1cc(Br)ccc1C(C)NCCC)C1CC1
InChIInChI=1S/C17H25BrN2/c1-4-10-19-13(3)16-9-6-14(18)12-17(16)20(11-5-2)15-7-8-15/h5-6,9,12-13,15,19H,2,4,7-8,10-11H2,1,3H3
InChIKeyWXWPBWSGMVZWMM-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.66
Rot. Bonds8

About 5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline

5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline (PubChem CID 82968406) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline
PubChem CID82968406
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline
SMILESC=CCN(c1cc(Br)ccc1C(C)NCCC)C1CC1
InChIInChI=1S/C17H25BrN2/c1-4-10-19-13(3)16-9-6-14(18)12-17(16)20(11-5-2)15-7-8-15/h5-6,9,12-13,15,19H,2,4,7-8,10-11H2,1,3H3
InChIKeyWXWPBWSGMVZWMM-UHFFFAOYSA-N
XLogP4.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline
CID 82955006
2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82967927
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline
CID 82968453
5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline
CID 82968474
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline
CID 82968388
3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
CID 102863395
2-[5-bromo-N-propan-2-yl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82968704
N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline
CID 43283869
4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 82971405
5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline
CID 82956232
N-[1-(4-bromo-2-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 82970060
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline?
The IUPAC name of 5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline (CID 82968406) is 5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline is C=CCN(c1cc(Br)ccc1C(C)NCCC)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline?
The InChIKey is WXWPBWSGMVZWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-4-10-19-13(3)16-9-6-14(18)12-17(16)20(11-5-2)15-7-8-15/h5-6,9,12-13,15,19H,2,4,7-8,10-11H2,1,3H3.
What are the key properties of 5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline?
5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline has a molecular weight of 337.31 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 82968406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).