N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline

C18H29FN2 — CID 63550802

IUPACN-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline
SMILESCCCN(CC1CC1)c1ccc(CNCC(C)C)cc1F
InChIInChI=1S/C18H29FN2/c1-4-9-21(13-15-5-6-15)18-8-7-16(10-17(18)19)12-20-11-14(2)3/h7-8,10,14-15,20H,4-6,9,11-13H2,1-3H3
InChIKeyFPPLUYVOXKMJLM-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.20
Rot. Bonds9

About N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline

N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline (PubChem CID 63550802) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline
PubChem CID63550802
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline
SMILESCCCN(CC1CC1)c1ccc(CNCC(C)C)cc1F
InChIInChI=1S/C18H29FN2/c1-4-9-21(13-15-5-6-15)18-8-7-16(10-17(18)19)12-20-11-14(2)3/h7-8,10,14-15,20H,4-6,9,11-13H2,1-3H3
InChIKeyFPPLUYVOXKMJLM-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline?
The IUPAC name of N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline (CID 63550802) is N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline.
What is the SMILES notation for N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline?
The canonical SMILES for N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline is CCCN(CC1CC1)c1ccc(CNCC(C)C)cc1F.
What is the InChIKey of N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline?
The InChIKey is FPPLUYVOXKMJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-9-21(13-15-5-6-15)18-8-7-16(10-17(18)19)12-20-11-14(2)3/h7-8,10,14-15,20H,4-6,9,11-13H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline?
N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline has a molecular weight of 292.44 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline is sourced from PubChem (CID 63550802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).